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Center for Chemical Engineering

Technical Activities: Fiscal Year 1985

Reference

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National Engineering Laboratory

National Bureau of Standards

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Boulder, Colorado 80303

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NBSIR 85-3039 research information CENTER Qo

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Center for Chemicai Engineering ^ Technical Activities: Fiscal Year 1985

J. Hord, Editor

February 1986

National Engineering Laboratory

National Bureau of Standards

U.S. Department of Commerce

Boulder, Colorado 80303

Prepared for:

National Research Council (NRC)

Board on Assessment of NBS Programs

February 26- 27 , 1986

Gaithersburg, Maryland

National Engineering Laboratory

John W. Lyons, Director

Center for Chemical Engineering

Jesse Hord, Director

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

National Bureau of Standards, Ernest Ambler, Director

CENTER FOR CHEMICAL ENGINEERING

ASSESSMENT BOARD MEMBERS

Mr. Melvin A. Albright

Rt . 3, Box 403AA

Bartlesville, OK 74003

Dr. James E. Bailey

Professor of Chemical Engineering

California Institute of Technology

Pasadena, CA 91125

Mr. H.C. "Jack" Frost

President

Jack Frost and Associates

P.0. Box 6429

Lawrenceville , NJ 08648

Dr. Walter E. Goldstein

Vice President, Res. and Dev.

Biotechnology Group

Miles Labs . , Inc

.

Elkhart, IN 46515

Dr. C. Judson King, III*

Dean, College of Chemistry

University of California

Berkeley, CA 94720

Dr. Douglas E. Leng

Laboratory Director

Central Research

Engineering Research Laboratory

1776 Building

The Dow Chemical Company

Midland, MI 48640

Dr. Marshall M. Lih

Division Director

Chemical and Process Engineering

National Science Foundation

Washington, DC 20550

Dr. Peter F. McCrea

V.P. & Director of Corp. Res.

Foxboro

38 Nepsonset Ave

Foxboro, MA 02035

Dr . Darwin A . Novak

Manager, Engineering

Monsanto Company

800 N. Lindbergh Blvd.

Mail Zone F4WD

St. Louis, MO 63166

Dr. Stanley I. Sandler

Chairman

Dept, of Chemical Engineering

University of Delaware

Newark, DE 19716

Dr. William R. Schowalter

Chairman

Dept, of Chemical Engineering

Princeton, NJ 08540

Dr. Joe M. Smith

Professor of Chemical Engineering

University of California

Davis, CA 95616

Dr. M. Stanley Whittingham

Director, Rock Science

Schlumberger-Doll Research

P.0. Box 307

Old Quarry Road

Ridgefield, CT 06877

Ex-officio *Chairman

Dr. William B. Streett

Associate Dean

College of Engineering

Cornell University

Ithaca, NY 14853

iii-
Technical research activities performed by the Center

for Chemical Engineering during the Fiscal Year 1985 are summarized herein. These activities fall within

the general categories of process measurement,

thermophysical properties data, and chemical

engineering science. They embody: development and

improvement of measurement principles, measurement

standards, and calibration services such as volumetric

and mass flow rates, liquid volume, liquid density, and

humidity; generation (via accurate measurement and

advanced predictive models) of reliable reference data

for thermophysical properties of pure fluids, fluid

mixtures, and solids of vital interest to industry; and

development of improved correlations, models, and

measurement techniques for complex flows, heat and mass

transport, mixing, and chemically reacting flows of

interest in modern unit operations.

INTRODUCTION

This document summarizes technical research activities of the Center

for Chemical Engineering during Fiscal Year 1985 (October 1, 1984 through

September 30, 1985). This Center is one of six such units that compose the

National Engineering Laboratory of the National Bureau of Standards. A

brief summary of the structure and technical activities of the National

Bureau of Standards is given in the introduction portion of this report,

along with organizational information on the Center for Chemical

Engineering

.

The activities of the Center are focused on chemical engineering in

support of the chemical and related industries (including chemical,

petrochemical, petroleum, gas, paper, biochemical, energy, food and drug,

etc.). The goal of the Center is to provide the fundamental scientific

framework for reliable measurement and data bases that assure equity in

domestic and international trade; and enable improved innovation, design,

and control of chemical processes. The Center’s research contributes

significantly to the ability of U.S. industry to compete in world markets.

This summary report is presented in three sections, one for each

participating division in the Center: Chemical Engineering Science,

Thermophysics, and Chemical Process Metrology. Each division summary is

related in the same format but with individual style and emphasis. These

summaries lead off with an introduction; state the division goal; outline

division subelement (group) functions; summarize project activities;

highlight major honors and awards of division staff; cite primary

publications, talks , committee memberships, editorships, and professional

interactions; and close with lists of conferences, workshops, and seminars

hosted, sponsored, or organized by the division or Center.

An itemized table of contents is provided for the reader's convenience

in locating specific technical topics of interest. If additional

information is desired on any technical project reported herein, readers

should address their inquiries to the appropriately identified project staff

(and division) via the Center for Chemical Engineering, National Bureau of

Standards, 325 Broadway, Boulder, CO 80303.

-iv-
CONTENTS

LIST OF BOARD MEMBERS iii

INTRODUCTION iv

ORGANIZATION OF THE NBS vii

ORGANIZATION OF THE CENTER FOR CHEMICAL ENGINEERING viii

CHEMICAL ENGINEERING SCIENCE DIVISION (773) ORGANIZATION CHART .... ix

THERMOPHYSICS DIVISION (774) ORGANIZATION CHART. ... x CHEMICAL PROCESS METROLOGY DIVISION (775) ORGANIZATION CHART xi

MISSION OF THE NATIONAL BUREAU OF STANDARDS xii

TECHNICAL ACTIVITIES OF THE

CHEMICAL ENGINEERING SCIENCE DIVISION (773)

1. Introduction 1

2. Goal 2

3. Group Functions 3

4. Selected Project Summaries 4

5. Honors and Awards 17

6. Publications 17

7. Talks 24

8 . Committee Memberships and Editorships 30

9. Professional Interactions 34

10. Conferences, Workshops, and Seminars 52

TECHNICAL ACTIVITIES OF THE

THERMOPHYSICS DIVISION (774)

1. Introduction 56

2 . Goal 56

3. Group and Program Functions 57

4 . Selected Project Summaries 58

5 . Honors and Awards 7 6

6. Publications 76

7. Talks 80

8. Committee Memberships and Editorships 84

9. Professional Interactions 86

10. Conferences, Workshops, and Seminars 89

- v-
TECHNICAL ACTIVITIES OF THE

CHEMICAL PROCESS METROLOGY DIVISION (775)

1. Introduction 92

2. Goal 95

3. Group Functions 96

4. Selected Project Summaries 99

5. Honors and Awards 118

6. Publications 118

7. Talks 122

8. Committee Memberships and Editorships 127

9. Professional Interactions 129

10. Conferences, Workshops, and Seminars 140

-vi-
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-xi-
MISSION OF THE

NATIONAL BUREAU OF STANDARDS (NBS)

The basic mission of the National Bureau of Standards is to provide for

the Nation's measurements and standards needs. NBS applies its expertise in

science and engineering to foster the attainment of such national goals as: economic growth through innovation and productivity growth in industry and

commerce, and through optimal utilization of labor, energy and material

resources; reasonable and equitable regulatory decision-making with maximum

benefit and minimum economic impact and uncertainty; equity in U.S.

commerce through mutual understanding and acceptance of recognized transfer

standards; and accuracy and compatibility in scientific communications and

technology transfer among industry, government and academia, including the

ability to make meaningful comparisons between the theoretical predictions

and empirical data used in developing scientific knowledge.

Through performance of the functions set forth in the NBS Organic Act

of 1901 and fourteen other statutes, the Bureau pursues its mission by

fulfilling three major roles. The Bureau of Standards: (1) is the Nation's

central reference laboratory and lead agency for the development and

provision of measurement standards, measurement methods and techniques, and

standard reference materials and data essential for the resolution of

Federal, State, and local scientific and technical measurement issues;

(2) addresses technological problems for the Nation through the application

of basic physical, chemical, mathematical, and engineering science by

providing traceability of measurements to national standards essential for

ensuring measurement comparability, by uniform determination of the

physical, chemical, and engineering properties of matter, and by provision

of uniform methods for measuring the performance of materials, products, and

engineered systems products; and (3) enhances the technological and

scientific base of the Nation's productive sectors by developing basic

technologies and information that underlie product and process development

and innovation.

As a major operational unit of the Department of Commerce, NBS also

contributes significantly to fulfilling the Department's mission to promote

trade and commerce and to ensure the smooth and orderly working of our

economy.

NATIONAL MEASUREMENT LABORATORY: Provides the national system of physical

and chemical measurement; coordinates the system with measurement systems of

other nations and furnishes essential services leading to accurate and

uniform physical and chemical measurement throughout the Nation's scientific

community, industry, and commerce; provides advisory and research services

to other Government agencies; conducts physical and chemical research;

develops, produces, and distributes standard reference materials; provides

standard reference data; provides calibration services; and collaborates

with the Bureau's major organizational units in carrying out its

responsibilities

.

-xii-
INSTITUTE FOR COMPUTER SCIENCES AND TECHNOLOGY: Provides scientific and

technical services to the central management agencies (e.g., the Office of

Management and Budget [OMB] and the General Services Administration [GSA])

to support the formulation of Federal ADP policies, the selection and

direction of Federally sponsored computer research and development, and the

resolution of policy issues affecting computer utilization; develops and

recommends Federal Information Processing Standards; participates in the

development of voluntary industry ADP standards in both national and

international organizations; conducts research in the science and

technologies of automatic data processing, computers, and networks; provides

direct technical assistance to other Federal agencies in solving specific

computer applications problems; cooperates with private sector users in

determining standards requirements; cooperates with users in industry to

test standards and develop certification techniques; conducts information

exchange activities in the areas of computer and networking technologies;

provides technical leadership for the development of national and

international standards for ADP products in order to enhance the

international trade position of the U.S. computer industry and to ensure

that international standards do not form trade barriers; cooperates with

representatives of foreign governments and organizations in research and

testing activities; and monitors Federal Government participation in

voluntary commercial standards development efforts.

INSTITUTE FOR MATERIALS SCIENCE AND ENGINEERING: Develops and maintains the

scientific competences and experimental facilities necessary to provide the

Nation with a central basis for uniform physical measurements, measurement

methodology, and measurement services fundamental to the processing,

characterization, properties and performance of materials, and to other

essential areas in materials science; provides government, industry,

universities, and consumers with standards, measurement methods, data, and

quantitative understanding concerning metals, polymers, ceramics,

composites, and glasses; characterizes the structure of materials, chemical

reactions, and physical properties which lead to the safest, most efficient

uses of materials, improve materials technologies, provide the bases for

advanced material technologies in basic and high-technology industries, and

encourage recycling; obtains accurate experimental data on behavior and

properties of materials under service conditions to assure effective use of raw and manufactured materials, provides technical information such as reference data, materials measurement methods, and standards to processors,

designers, and users for selection of cost-effective combinations of

materials, processes, designs, and service conditions; uses the unique NBS

reactor facilities to develop neutron measurement methodology, develop

sophisticated structure characterization techniques, reference data, and

standards; participates in collaborative efforts with other NBS

organizational units in the interdisciplinary developments in materials

science; and disseminates generic technical information from the Divisions

to private and public sector scientific organizations through special

cooperative institutional arrangements and through conventional distribution

mechanisms

.

-xiii-
NATIONAL ENGINEERING LABORATORY: Provides technology and technical

services to users in the public and private sectors to address national

needs and to solve national problems in the public interest; conducts

research in engineering and applied science in support of objectives in

these efforts; builds and maintains competence in the necessary disciplines

required to carry out this research and technical service; develops

engineering data and measurement capabilities; provides engineering

measurement traceability services; develops test methods and proposes

engineering standards and code changes; develops and proposes new

engineering practices; develops and improves mechanisms to transfer

results of its research to the ultimate user; develops and demonstrates

new institutional practices to stimulate use of technology; and collaborates

with the National Measurement Laboratory in conducting its assigned

responsibilities

.

CENTER FOR CHEMICAL ENGINEERING: Performs research in process metrology,

thermophysical properties of fluids and solids, and unit operations and

processes; provides measurement practices and standards, fundamental

engineering data, calibration and measurement services, and engineering

science for the chemical process industry, academe, and Government.

CHEMICAL ENGINEERING SCIENCE DIVISION: Develops and maintains

competence to provide essential engineering measurement and data bases

that underlie the design and performance of chemical engineering

processes and the behavior of solid materials of importance to the

chemical and related industries; performs basic and applied research in

unit operations (heat and mass transfer, and separations including

membranes, chemical complexation, crystallization, selective

adsorption, and liquid-liquid extraction), systems engineering,

thermodynamic analyses of subprocesses, and scale-up; performs thermal

and related properties measurements research to develop data-predict ive

models and reference materials for solid feedstocks and fuels (coal and

gas hydrates) and for technical solids (insulating materials, metals,

alloys, polymers, composites, and ceramics); provides critically

evaluated data, measurement standards, predictive models, and

engineering correlations in these research activities.

THERMOPHYSICS DIVISION: Develops new measurement techniques,

thermodynamic models, and molecular theories to describe the

thermophysical behavior of condensed matter ranging from classical

fluids and solids to highly complex fluid mixtures containing molecules

of varying size, polarity, and chemical nature. Research includes

multicomponent-multiphase fluid mixtures, interfacial phase

transitions, nucleation, computer simulation of fluid behavior,

critical point phenomena and properties, properties of supercritical

fluids, phase separation, equations of state, and transport processes

in fluids and high-melting temperature metals. Results include:

theoretically-based predictive models and correlations that use transportable computer codes to predict thermophysical properties of

condensed substances; state-of-the-art experimental measurements; and

critically evaluated properties data.

-xiv-
CHEMICAL PROCESS METROLOGY DIVISION: Develops improved measurement

techniques, theoretical and computational models to describe and

qualify the performance of laboratory and process plant instruments

,

and complementary advanced fluid dynamics analyses/models to explain

the behavior of fundamental fluid flows; develops experimental and

theoretical means to characterize fluid behavior (solid-fluid slurry

flow modes, fluidized beds, chemically reacting flows, etc.) and to

evaluate the performance of combusting flows (gaseous, liquid, solid

and slurry fuels) with emphasis on high temperature, corrosive and

erosive exhaust streams; develops measurement standards and provides

measurement services for flow (volume and mass rates), fluid density,

fluid volume, and humidity; and provides advanced measurement

techniques, standard measurement practices, and technical data

(experimental, theory and computer models) for measurement, analysis

and control of chemical processes.

-xv-

TECHNICAL ACTIVITIES

OF THE

CHEMICAL ENGINEERING SCIENCE DIVISION (773)

M.J. Hiza, Acting Chief

1. INTRODUCTION

The ability to accurately model processes has long been important to the

efficient design and operation of the plants and facilities in the chemical,

petrochemical, petroleum, gas, and related industries. The rising cost of

energy during the past decade has sharpened this need. In like manner, these

industrial processes are steadily moving toward alternative and much more

complex base feedstocks which in turn yield more complex, and often, corrosive

and hazardous conversion products. In order to accurately model processes in

conventional and the newer and more unconventional plants, one needs a reliable and well documented data base for the properties involved as well as accurate models for the unit operations represented within these industrial

processes. The work of the Chemical Engineering Science Division is focused

on providing the measurements and data needed for the properties involved and

on advancing the state-of-the-art for unit operations. The key ingredients

are measurements, measurement standards, benchmark data, and theoretically

based predictive models for properties of solids and fluids and for

engineering systems. In addition to contributions related to process design

and operation, the work of the Division is heavily involved in measurements

and data necessary for accurate and verifiable custody transfer of chemicals

and fuels.

In all areas that relate to the research of the Gaithersburg Divisions,

close collaborative interactions have been developed. There is close

collaboration with the Thermophysics Division with complete integration of the

fluid and solid properties efforts, and with the Chemical Process Metrology

Division in flow research. These collaborations include several joint

projects sponsored by other agencies, and new ones are being initiated.

One of the primary focuses of research in the Division is related to new

base feedstocks. For the most part a thorough and quantitative understanding

of the behavior of the molecular parameters and bulk properties of these new

chemical systems does not presently exist. The complexity of the phenomena

involved and the vast array of fluids and solids encountered precludes the

possibility of a purely experimental or correlative approach. It is essential

that the approach be one which carefully integrates experiment, theory, and

evaluation so as to yield accurate property and unit operations predictive

models. Standard Reference Data, and Standard Reference Materials which are as broadly applicable as possible. For these reasons, the theoretical effort

will break new ground in molecular parameters, metastability, phase equilibria

involving multiple phases, non-Newtonian fluid behavior and related nonlinear
phenomena, interfacial phenomena, heat and mass transfer, and other unit

operations. Similarly, new measurement procedures are being developed to

handle corrosive and hazardous fluids, to perform measurements in regions

heretofore inaccessible, and to provide measurements of higher accuracy or by

simpler and more efficient means than currently available. This program

addresses scientific issues of concern to industries which have made great

strides in recent years in the use of process simulation and computer-aided

design in the development and optimization of processes and plants. It is

essential that the models and data resulting from this program be published in

a form which can be readily incorporated into these modern computer-based

tools

.

The research of the Division addresses scientific issues of national

interest in which NBS expertise and its impartial position are critical to an acceptable resolution, as with the highly accurate measurement and modeling of

properties of fluids such as ethylene, the lower molar mass alkanes, and

selected mixtures. The majority of the effort, however, is directed toward

problems of the future. These include, but are not restricted to: 1) fluid

and material properties and processes related to conversion of coal to gases

and liquids such as synthesis gas, methanol, etc., for use as chemical

feedstocks and fuels; 2) biomass derivatives as fuel and chemical feedstocks,

e.g. alcohol systems; 3) the efficient use of heavy oils, tar sands, and other

highly viscous fluids which exhibit nearly solid- like behavior; 4) the

utilization of less energy intensive separation processes; and 5) properties

of biosubstances and bioproduct separation/purification technology needed for

large scale manufacture of biochemicals. The strategy is to perform basic

research, generic to the science underlying the chemical, biochemical, and

petrochemical processing industries, which requires the special role of NBS as an impartial national laboratory excelling in measurements and their

interpretation. During the past year, the effort in membrane separations

research has been modified somewhat, to accommodate new plans for a project on bioseparations. The transient heat transfer project was completed and new

work was initiated on heat transfer in supercritical extraction processes.

Plans have been developed to initiate new research projects on thermal

properties of ceramics and polymer composites.

In addition, the Chemical Engineering Science Division serves other

government agencies, industrial consortia, trade associations, etc., by

providing research which is appropriate to the mission of the National Bureau

of Standards and which is consistent with the goals of the Center for Chemical

Engineering and the Division. This externally supported research constitutes

a major part of the planned effort in achieving the goals of the Division.

2. GOAL

The goal of the Division is to provide evaluated engineering reference

data; standard measurement procedures and test methods; predictive techniques.

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correlations, computer codes, and underlying theory needed by the chemical and

related industries to innovate, design, and control chemical processes.

The output of this program assists these industries in maintaining and

enhancing their competitiveness in the international marketplace. The primary

means of accomplishing this goal is by providing theoretically based

predictive techniques, critically evaluated data, and state-of-the-art

measurement techniques. The approach is to conduct research on fundamental

theoretical models, new concepts and phenomena, and predictive algorithms in

synergism with experimental programs. This approach nurtures development of new measurement techniques, provides accurate data on unit operations, and on

the properties of carefully selected pure fluids, mixtures, and solids which

are representative of broad classes of substances. An essential corollary of

these efforts is the critical evaluation and correlation of experimental data

leading to the publication of Standard Reference Data, development of Standard

Reference Materials, and development of voluntary- standard measurements and

test methods.

3 . GROUP FUNCTIONS

The research of the Division is organized into three technical groups:

Unit Operations/Processes, Properties of Fluids, and Properties of Solids.

o Unit Operations/Processes - S.K. Sikdar, Group Leader

The Unit Operations Group performs experimental, theoretical, and

mathematical modeling research in: separation of gases, solutions and

biochemicals; heat transfer; flow measurement, including facilities for mass- based gas and cryogenic liquid flow; and process thermodynamics, the analysis

of processes and techniques.

o Properties of Fluids - H.J.M. Hanley, Group Leader

The Fluid Properties Group has a research program which integrates

experimental measurements, theoretical studies, and critical evaluation of

data, all designed to lead to an understanding of fluid behavior. Outputs are data and theoretically-based predictive models for the properties of complex

mixtures and technically important pure fluids. The fluids of interest are industrial chemicals, hydrocarbons, coal conversion products, heavy oils,

biochemical solutions, etc.

o Properties of Solids - L.L. Sparks, Group Leader

The experimental and analytical research of the Solid Properties Group is

focused on the thermal properties (thermal conductivity, thermal expansion,

and heat capacity) of industrially important solids such as: solid fuels

(e.g. coal and gas hydrates); and foams, fibers, fiberboards, aggregates,

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metals, ceramics, composites, and polymers. In addition, work is performed on

the ignition and combustion characteristics of metal alloys, in an oxygen

environment, at pressures up to 20 MPa.

4. SELECTED PROJECT SUMMARIES

UNIT OPERATIONS /PROCESSES GROUP

Separations Research - Measurements. Standards, and Modeling

R.D. Noble, J.D. Way, G.J. Hanna, R.A. Perkins, L.A. Powers,

K.M. Larson, S.K. Sikdar

The objective of this research is to develop basic measurement techniques

and standards, provide a body of high quality experimental data, and develop

predictive models and computer codes for the use of chemical complexation in

separation processes. The separation technique currently used in the research

is facilitated transport in liquid membranes; however, reversible chemical

complexation can be applied to liquid-liquid extraction, extractive

distillation, absorption, and others. Measurements are made to study basic

transport properties, acquire mass transfer data, and understand mechanisms.

The fundamental models, developed using these data, can then be applied to any

of the several processes using chemical complexation. The experimental work

uses immobilized liquid membranes for gas phase studies and emulsion liquid

membranes for liquid phase systems. Measurements involve CO, CO

2 and H„S

removal from gas streams, and removal of metal ions (such as copper) ana organics (such as amines) from aqueous streams. A new thrust in bioprocessing

has been initiated. This bioseparations research includes studies on the

partition of proteins in two-phase aqueous extraction, separation of amino

acids by ion-exchange membranes, and measurements of protein diffusivities in

aqueous solutions. The major objective in these studies is to provide data

and understanding necessary for design of industrial bioseparation processes.

Externally funded work includes study of acid gas (CO^ and H^S) removal from

natural gas streams for the U.S. Department of Energy, and research on removal

of organics and heavy metals from aqueous streams for the U.S. Environmental

Protection Agency.

Heat Transfer

V.D. Arp, P.J. Giarratano, W.G. Steward, M.C. Jones,

S.D. Bischke, R.D. Nassimbene

The transient heat transfer project has been completed. This work

combined theoretical studies with two types of experimental measurements. One

experimental study involved investigation of the nonlinear interaction between

a transient heat pulse and the resulting induced fluid flow in a long line.

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The main output of this study is a new, general-purpose computer code valid

for fluid mixtures as well as for pure fluids. The second study used optical

techniques to study, quantitatively, the behavior of fluids immediately

adjacent to a pulse heated surface in an open system. Data have been taken

both in the laboratory and in near zero-gravity aboard a NASA KC-135 (to avoid

buoyancy effects) . Measurements support a heat transfer model based on thermally driven fluid motion, and at the same time defined a limit to the

applicability of optical techniques under high temperature gradient

conditions

.

The heat transfer project has been redirected to study the problems of

heat transfer in the retrograde condensation of a supercritical fluid mixture.

The apparatus containing the supercritical test loop has been designed,

fabricated and is in the process of being assembled for initial tests.

Metering of Natural Gas and Cryogenic Liquids

J.A. Brennan, B.R. Bateman, P.R. Ludtke , S.E. McManus, C.F. Sindt

J.D. Siegwarth, I. Vazquez, D.B. Mann

At the core of this work is a flow facility capable of providing accurate

and precise mass -based data for flowing cryogenic liquids and ambient

temperature gas. There are four projects currently under study. The first is

aimed at providing substantial improvement in the metering of natural gas by means of orifice plates. This multi-year program, funded by the Gas Research

Institute, includes an extensive series of measurements on a 4- inch diameter

orifice meter used for interlaboratory comparisons in Europe. Also under

investigation are swirl phenomena, flow conditioning concepts, and required

straight pipe lengths. The work in Boulder on gas flow is closely coordinated

with similar work on water flow in Division 775 (sponsored by the American

Petroleum Institute) . The second area of flow research utilizes the flow

facility to evaluate new measurement techniques and to perform special tests

on meters to provide measurement traceability to NBS . These tests are performed with liquid nitrogen. The third area of flow research is concerned

with high velocity flows (over 50 m/s), and utilizes water from a local hydroplant since such velocities are well beyond the range available in a laboratory. The purpose of this work is to assist NASA in developing reliable

flowmeters for the Space Shuttle Propulsion System. The last area of research

is aimed at providing measurement manuals for natural gas and liquefied

natural gas (LNG) . One project, supported by an international consortium of

gas importing firms and covering all aspects of custody transfer (including

flow measurements), is nearing completion. Another project, completed with

support from the USAF, dealt with natural gas metering, heat content

measurement, and calculation of purchased energy.

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Process Thermodynamics

V.D. Arp, D.E. Daney, M.J. HIza, B. Louie, J.D. Siegwarth,

W.G. Steward, R.O. Voth

This work is designed to provide engineering, principally cryogenic

engineering, expertise to other government agencies to solve a variety of

problems. Current research is concerned with 1) performing experiments on condensed cryogens and evaluating the thermodynamics of, and heat and mass transfer effects in, systems used in inertial confinement fusion; and 2)

analyzing the fluid mechanics and thermodynamics involved in the transfer and

storage of large quantities of fluids such as liquid hydrogen, oxygen, and

helium in low gravity environments, and the mixing of hydrogen and oxygen

liquids. The work in area 1) is supported by the Department of Energy (DOE)

and in area 2) by the National Aeronautics and Space Administration (NASA)

.

PROPERTIES OF FLUIDS GROUP

Integrated Study of Fluid Properties

H.J.H. Hanley

The fluid properties group has a strong background in experiment, theory,

correlation, and data dissemination for the properties and behavior of fluids.

Recently, the thrust has been to broaden the capability to more complex

mixtures and to cover a wider temperature range. The approach is an integrated effort of experiment, correlation of data, and theory that is as fundamental and broadly based as possible. It is felt that a general approach

is versatile, flexible, and in the long run, productive; specific objectives

can then be met by the appropriate emphasis. Examples of our output would

include data for supercritical extraction, the properties of synthetic gas and

coal derived fluids, properties of hydrocarbons and chemicals (e.g., methanol,

benzene, toluene), the production of design data for large scale CO and N^

custody transfer, industrial chemical processing, and data and models for

advanced gas separation processes.

The experiments involve accurate measurements of selected pure components

and binary mixtures, and multicomponent mixtures when appropriate.

Theoretical studies are concerned with the basic properties and structure of

fluids. Data evaluation and correlation facilitate coordination of the

experimental and theoretical studies. Fluids are selected because of their

industrial importance and to serve as models for wide classes of industrially

important systems. For example, hydrogen sulfide, carbon dioxide, and carbon

monoxide are important components of industrial mixtures in general, but are also typical of the class of inorganic polar molecules occurring in substitute

feedstocks and coal derived liquids. Mixtures with organics, e.g., CC^ +

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butane are again of major industrial interest (such as in the problem of

supercritical extraction) , but are further representative of even more complex

mixtures which invariably contain components of differing chemical nature,

size, and/or polarity. An important final objective is to develop predictive

procedures packaged as computer programs or other forms most appropriate for

the user. This work is the core of the fluid property program and includes

the basic NBS support, but in addition receives research funds from the

Department of Energy (DOE) -Office of Basic Energy Sciences, the Gas Research

Institute (GRI) -Basic Research, the NBS-Office of Standard Reference Data, and

the National Aeronautics and Space Administration.

Supercritical Fluid Properties

J.F. Ely, J.W. Magee, J.R. Fox, W.M. Haynes, L. A. Weber,

T . J . Bruno

R.ecent industrial interest in enhanced oil recovery with near critical

carbon dioxide, supercritical fluid extraction, and near critical custody

transfer of commercial chemicals has pointed out the need for accurate data

and models for supercritical fluid mixtures. One project, which is supported

by a consortium of 13 companies and an industrial trade organization, enables

us to develop accurate predictive models for this type of fluid and accurate

experimental data which can be used to test and further develop the predictive

models

.

Thus far, this project has produced: a comprehensive equation of state,

based on the Wagner equation, for pure carbon dioxide; preliminary equations

for selected refrigerants; a "state-of-the-art" computer code, useful for

custody transfer of supercritical fluid mixtures, especially those rich in

carbon dioxide; a general predictive model for fluid phase equilibria and bulk

phase properties of mixtures; experimental PVT data for carbon dioxide from

220-330 K at pressures to 35 MPa; and phase equilibria data for binary

mixtures of carbon dioxide with normal butane and isobutane from 250-394 K.

Current experimental efforts are directed toward refrigerants; these include

PVT data for R13 and R23 from 100 to 330 K at pressures to 35 MPa, and phase

equilibria data for binary mixtures of normal butane, isobutane, R13, and R23

from 300 to 400 K.

A second project, supported by DoE-Office of Basic Energy Sciences,

involves exploratory research on and evaluation of a supercritical fluid

chromatograph. Carbon dioxide will be used as the carrier gas in a study of

the diffusivities of fused ring polynucleararomatic hydrocarbons.

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Viscosity and Thermal Conductivity Measurements

D.E. Diller , H.M. Roder

Measurements on viscosity and thermal conductivity are vital to complete

the data base needed by the design engineer and are a necessary adjunct to PVT

and thermodynamic properties. Further, the behavior of transport coefficients

is very interesting from a scientific standpoint and demonstrates the

fascinating and versatile behavior of a fluid in nonequilibrium. We have an ongoing program to measure the viscosities of dense fluids and mixtures, from

80-320 K, from the gas phase to the very dense liquid phase using a piezoelectric crystal viscometer. Recent results are available for mixtures

of CO^ + ethane, methane + ethane, and for CO^ , n-butane, and i-butane.

Thermal conductivity data are taken with a transient hot wire apparatus over

the same range. Recent results on the thermal conductivity of methane + ethane mixtures have unambiguously demonstrated that the mixture displays an enhancement in the critical region which contradicts theoretical predictions.

The critical enhancement in mixtures appears very similar to the critical

enhancement in pure fluids. Theory predicts enhancement in pure fluids, but

strongly suggests that it should not be present in mixtures. The results of

both transport property studies are the first accurate and comprehensive

experimental data for mixtures.

A new high temperature viscometer is nearing completion and performance

testing. It will cover the temperature range of 300-600 K with pressures to

35 MPa. The first measurement program will include heavy hydrocarbon systems.

A new high temperature transient hot-wire thermal conductivity apparatus is

also under construction and will operate at temperatures up to 650 C and at

pressures up to 80 MPa. Again, the emphasis will be on fluid systems which

are suitable for the development of predictive models for complex fluid

mixtures of industrial importance.

Phase Equilibria Data for Industrial Fluids

J.E. Mayrath, L.A. Weber, T.J. Bruno

Phase equilibria (VLE, fugacity) studies are a major component of the

group's effort. We have recently completed construction of a conventional circulation total pressure system designed for operation between

300-500 K. The systems CO^ + n-butane, and CO^ + i-butane have been studied.

The object was to better understand the influence of the isomers in an organic + inorganic mixture. Current work includes binary mixtures of butanes

and halogenated hydrocarbons. It should be noted that a similar low

temperature VLE apparatus was also used for measurements on the CO^, + butane

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systems. A high temperature VLE apparatus for operation from 300-900 K is

available and being improved. The apparatus can operate in two modes. A

mixture at constant composition and known total mass is pumped into a cell at

a given temperature, and the pressure is measured for a given volume of the

fluid in the cell. There are breaks in the pres sure -volume curve as the fluid

goes through the dew and bubble points. The concentration is changed and the

procedure repeated. Hence a dew/bubble point curve is traced out. The system

studied is methanol + water. The second mode is as follows: the components

of the mixture are mixed at room temperature to give a mixture of known volume

fraction. The feed mixture is pumped at constant flowrate (of the order of

microliters/s) into a cell at the temperature (T) of interest where it will

split into two or more phases at sufficiently high temperature. We have the

freedom to set either the liquid (x) or vapor phase composition (y) to that of

the feed by withdrawing samples of the chosen phase at the same mass flowrate

as that of the feed. At a steady state, we thus know T and either x or y and

measure the pressure. Differential refractometry is used to compare the

composition of the feed to the material being withdrawn, with the flowrates

adjusted to ensure equality. The composition of the excess phase is withdrawn

at a flowrate two or three orders of magnitude less than the rate of the feed

and its composition determined by differential refractometry with respect to

the feed. By varying the original feed composition, one has a continuous

calibration detection device. CO

^ + naphthalenic systems will be studied.

Another operational device is designed to study hydrogen mixtures. We

have constructed a system with a palladium membrane through which pure

hydrogen is in contact with a hydrogen mixture. By measuring the properties

of the pure hydrogen we obtain the fugacity of hydrogen in the mixture.

Results are available for H0 + CH^, + C^Hg, an<* + C °2 m*- xtures * + C0

studies are nearly complete.

PVT Measurements of Industrial Fluids

G.C. Straty, W.M. Haynes, J.W. Magee

The group has three operational apparatus to measure the PVT properties

of fluids: a direct density measurement magnetic densimeter based on Archimedes principle operating between 80 and 320 K for pressures to 35 MPa; an isochoric PVT cell operating under the same conditions; and a high

temperature cell for 300-900 K with pressure to 50 MPa. The latter apparatus

can handle toxic, explosive, and chemically reactive materials. Recent

results include data for CO^ , CO^ + Ng , H^S, methanol, and benzene. The low

temperature PVT cell is currently being automated for measurements on R13 and

R23. We are also raising the upper temperature limit. The high temperature

apparatus has been specifically designed for use with chemically reactive

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fluids and is currently being used for toluene measurements. Measurements are made along isochores with all data taken on a given isochore in an automated

mode. An isochore will normally involve 18-20 measurements with 20-30

isochores measured for a given fluid.

Prediction of Fluid Properties

R.D. McCarty, R.D. Goodwin, J.F. Ely, D.G. Friend, J.C. Rainwater,

M.R. Mol dove r , H.J.M. Hanley

A primary output of the group is the correlation of a set of data and/or

a prediction procedure packaged for the user involved in science or engineering. Correlations for several pure fluids have been developed

recently: H„S, CO, CO

2

, ethylene, methanol, for example. Prediction packages

include TRAPP (transport property prediction procedure), MIPROPS (properties

of eleven pure fluids), and SUPERTRAPP (phase equilibria, properties of

mixtures) which is to be released soon. These procedures are the visible

results of a basic study of fluid behavior and the application of statistical

mechanics and kinetic theory.

We are studying methods to predict the properties of polar mixtures, and

we are investigating VLE near the critical point and the prediction of

critical lines for mixtures. The latter is directed toward development of a computer predictive package. We are also developing correlations in the form

of computer packages for spacecraft propellants and life support fluids under

the sponsorship of the NASA.

Fundamentals of Fluid Behavior: Equilibrium and Nonequilibrium

H.J.M. Hanley, J.C. Rainwater, J.F. Ely, D.G. Friend

A long-term investigation is under way to study the behavior and

structure of fluids and their mixtures. We are especially interested in

fluids of complex structure, e.g., polar molecules, and mixtures whose species

are substantially different in physical or chemical nature. We are also

interested in unusual conditions, e.g., when the fluid is at a state near a critical point or line, or close to freezing. In particular, nonequilibrium

fluid behavior is a subject of considerable current concern. Basic

theoretical questions arise on the definition and thermodynamic concepts once

a fluid is not at equilibrium. Also, from the practical standpoint, the

engineer needs transport properties and a knowledge of flow behavior in these

thermodynamic regions for proper design and efficient operation of process

equipment. We are undertaking a very general study of fluids subjected to a shear and a temperature gradient. We have shown that even the simplest fluid

is basically non-Newtonian and that there is a definite relation between the

equation of state of a fluid (and hence its thermodynamic properties) and the

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departure of the fluid from equilibrium. Specific recent outputs of the work

include: mixing rules and local composition for mixtures of diverse species,

effect of shear on phase equilibria of mixtures, and a priori calculation of

the behavior of a fluid when stirred or mixed. Shear induced phase phenomena,

with applications to suspensions, slurries, and multiphase flow are also under

investigation. The direction of the work is a fundamental understanding of

the nature of complexity. The results will then yield theoretical knowledge

of mixtures which will in turn aid in the development of predictive techniques

for broad classes of fluids.

Measurement of Thermodynamic Properties of Fluids

J.W. Magee, B.A. Younglove

There is an awareness in industry that data for the derived thermodynamic

properties (e.g., specific heat, velocity of sound, enthalpy) of even simple

fluids and mixtures are sparse. Further, the predictions of such properties

from an equation of state are unreliable without data to check and optimize

the forecasts. Isochoric specific heat data have been obtained for CC^ from

220 to 330 K at pressures to 35 MPa. Current work includes initiation cf

measurements on the methane + ethane system. These results are of immediate

relevance to the gas industry and for use in supercritical fluid processes.

They are also used in development of theoretically based prediction

procedures

.

Sound speed measurements are under way on methane + ethane mixtures.

These results will be used in the development of highly accurate sound speed

correlations which will be used, in turn, for reducing the uncertainty in

natural gas flow measurements using sonic nozzles.

Properties of Chemically Reacting Systems

T.J. Bruno, J.E. Mayrath, G.C. Straty

A new thrust of the group is to develop techniques to measure and report

the properties of fluids that can react chemically (decompose) . We have

prepared a set of guidelines suggesting steps that experimentalists should

follow to present the data in a useful and reproducible manner. We have

undertaken the substantial task of setting up an analytical laboratory

containing the equipment needed to analyze the composition of possible

reacting fluids and reaction products. The equipment presently consists of a gas chromatograph, a liquid chromatograph, an ultraviolet spectrophotometer,

and an infrared spectrophotometer. A mass selective detector and electron

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capture detector will be added soon. The entire laboratory is explosion proof

and can handle toxic substances. We have already experienced the problems of

reactive test fluids with our PVT measurements on ^S, methanol, and benzene

and phase equilibrium studies of methanol + water. Chemistry is also an integral part of our investigations of + organic systems in contact with a palladium membrane, and of our studies with a supercritical fluid

chromatograph

.

Association in Coal Liquids

A . J . Kidnay, J.F. Ely, H.J.M. Hanley, T.J. Bruno

Predictive procedures that are, in general, successful for relatively

simple mixtures (such as the alkanes) can fail when applied to partially

defined liquids such as coal liquids or petroleum fractions. The problem,

however, is not necessarily a failure of the procedure per se, rather it can

be the uncertainty in the input parameters (such as pseudocritical

parameters). If the mixture is associated or hydrogen bonded, the

difficulties are compounded and then the procedure may need modification. The

engineer needs a simple check to see if a given liquid is associated or

not, and then needs parameters to enter into the appropriate prediction

procedure. Two experimental approaches have been selected in an attempt to

quantify the problem of association in undefined liquids. These are measurements of viscosity and heats of mixing. Comparisons with predictive

models, such as TRAPP, have demonstrated that viscosity measurements can serve

as a screening test to distinguish between nonassociating and highly

associating mixtures. Model coal liquids with known associating compounds were constructed for these investigations. Only preliminary studies have been

done on heats of mixing. This experimental work is designed specifically to

aid in the theoretical understanding of these complex systems.

PROPERTIES OF SOLIDS GROUP

Solid Fuels Research

J.E. Callanan, B.J. Filla, J.F. Hurley, J.G. Hust,

L.L. Sparks, S.A. Sullivan

The techniques developed for measurement of the heat capacity of raw

coals are being extended to higher temperatures, to coals of different ranks,

and to macerals, premium coals, and chars. Experimental efforts in the near

future will be directed toward evaluation of the total enthalpy of an exothermal reaction which has been observed on the initial heating of raw

coal. Through collaboration with other coal scientists we will attempt to

understand this reaction. Other experimental results which will aid in

reaching this understanding include: measurements on macerals to permit

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evaluation of the mineral contribution to the overall reaction; measurements

on premium coals to allow for evaluation of the effects of oxidation; heat

capacities measured in varied atmospheres (air, nitrogen, argon, helium, and

carbon monoxide); heats of desorption measured by a newly developed technique;

and analysis of effluent gases.

A series of coal-epoxy specimens, with different proportions of the two

components, have been prepared for use in thermal conductivity measurements,

with a compression probe, on powdered coal. These results will be compared

with those from linear hot-wire measurements on powdered and chunk coal.

All experimental data generated are being used in a modeling program for

thermal properties of coal under way in Division 774 of the Center. Agreement

to date with a model for the carbonization of coal, proposed by Herrick of the

Coal Research Establishment, U.K. , has been excellent. However, extension of

the measurements, and thus the modeling, to higher temperatures will allow us

to examine a critical region for the thermal properties of coal, 600 K to

1000 K. The studies on rank series are in collaboration with Southern

Illinois University.

A calorimetric technique for measuring the heat of desorption of water

from porous solids was developed. It will be used to determine heats of

desorption for other solid-liquid systems. A modification of the technique

should allow calorimetric measurement of heats of adsorption in solid-gas

systems

.

Work on gas hydrates has continued with partial support from DoE,

Morgantown. A cutting device that allows preparation of smooth surfaces

suitable for use in thermal measurements has been constructed. Techniques for

sample preparation have been developed which allow for preparation of uniform

specimens under carefully controlled conditions, which can be repeated

exactly. Specimens of two types of hydrates have been prepared and heat

capacity measurements by an enthalpic technique are underway. The system for

thermal expansion measurements has been altered to increase sensitivity and

will be tested on ice before use with clathrates.

Development of SRH's

J.G. Hust, J.E. Callanan, S.A. Sullivan

Research has been directed toward the establishment of several thermal

property Standard Reference Materials (SRM's).

The glass fiberboard SRM of thermal resistance (SRM 1450b) has been

certified for temperatures from 100 to 330 K. This is an extension of the

previous certification at temperatures from 255 to 330 K.

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A new SRM for thermal resistance, glass f iberblanket , SRM 1451, has been

established for the temperature range 100 to 330 K.

A proposal has been funded by DoE for the development of high- temperature

insulation SRM's. These SRM's will fill an existing gap in the range of

available thermal conductivity SRM's, and are of interest to researchers and

manufacturers in the chemical process industry.

Zinc (SRM 2221) and tin (SRM 2220) have been certified as temperature and

enthalpy-of -transition standards according to procedures outlined in NBS

Special Publication 260-99. The certification program will continue with

certification of standards for room temperature, subambient, and high

temperature regions. The heat capacity of 9-methylcarbazole has been measured

by adiabatic calorimetry from 6 to 345 K and by differential scanning

calorimetry from 125 to 350 K. A comparison of these results will complete a feasibility study to determine whether heat capacity standards can be

developed by scanning calorimetry.

Crvocooler Studies

R. Radebaugh, J. Zimmerman*, B. Louie

A pulse tube refrigerator was built under a NASA-Ames contract and

reached a record low temperature of 60 K in one stage. The lowest temperature

previously reached with a pulse tube refrigerator was 105 K by a group from

Moscow Technical High School. This new work has led to the device becoming a serious alternative to other refrigeration schemes that have more moving

parts. The pulse tube refrigerator has only one moving part. A test

apparatus to measure the efficiency and refrigeration power per unit mass flow

has been constructed under the same program. A paper on this new development

was presented at the 1985 Cryogenic Engineering Conference.

Under a five-year Air Force contract, the regenerator test apparatus was modified to make tests in the presence of pressure waves to simulate the

environment seen by regenerators in an actual refrigerator. A high specificheat material, GdRh, has been formed into powder for testing as a regenerator.

This material has been sent to Hughes Aircraft for tests in an actual

refrigerator, after which precise effectiveness values will be determined over

a wide range of conditions in our regenerator test apparatus. An important

part of the regenerator test apparatus is the high speed thermometer to

measure the instantaneous gas temperature on both sides of the regenerator.

The silicon-on- sapphire thermometers, made at NBS and Stanford University, are

the fastest responding thermometers in existence with a measured self -heating

response time of 300 ns. A paper describing these thermometers has been

written and is awaiting Air Force approval for publication.

- 14 -
The least reliable component of present cryocoolers is the mechanical

compressor. A proposed alternative uses a thermal compressor in which the gas

to be compressed is first adsorbed on charcoal at a low pressure. The

charcoal is then heated slightly and the adsorbed gas is driven off at some higher pressure. Only slow-moving check valves are needed to provide

continuous flow in one direction. The necessary data to design a heliumcharcoal compressor is lacking, but a program funded by the Air Force Space

Technology Center will enable us to measure the adsorption characteristics of

helium on charcoal in the temperature range 10 to 77 K. The apparatus to make

such measurements was completed in FY85.

*NBS Center for Electronics and Electrical Engineering

Metal Combustion in High Pressure Oxygen

J.W. Bransford

A program to study the ignition and combustion characteristics of a number of metals and alloys in high pressure oxygen, pressures to 20 MPa, has

been undertaken for NASA. This program is not only of interest to NASA and

the aerospace industry, but also to producers, transporters, and industrial

users of liquid and gaseous oxygen.

The top surface of a cylindrical sample is heated by a focused CO^ laser

beam. Interior and exterior temperatures are measured before, during, and

after ignition. Also measured is brightness (for correlation to previous

work) and weight increase (for combustion rates). High-speed movies of the

ignition and combustion process are also made.

From the above data, ignition temperature, combustion temperature,

combustion rates, and ignition/combustion morphology can be determined. NASA

will use the results to design safer components for launch vehicles, such as the Space Shuttle, which uses large quantities of liquid oxygen at high

pressures. The results are also directly applicable to industrial handling of

high pressure oxygen.

Thermal Properties of Advanced High-Temperature Materials

L.L. Sparks

Ceramics and ceramic based composites are becoming increasingly important

as replacements for metals and plastics in electronic components and high

performance engines and structures. The bulk of the developmental research on these materials has been in the areas of processing and mechanical properties.

- 15 -
Thermal properties must be known for advanced applications now being

contemplated or, in some cases, actually incorporated in working designs.

The properties in question include thermal conductivity, thermal

expansion, heat capacity, and thermal diffusivity. Knowledge of these

properties is required to allow ceramics to be used in applications such as unlubricated bearings, high- temperature reactors, turbine rotors, adiabatic

diesel engines, turbocompressors, thermal barriers, electrical components, and

substrates for electronic components.

The initial effort at NBS to address the thermal properties needs is to

develop a thermal conductivity apparatus with the capability to measure

thermal conductivity of ceramic-like materials to 1000 C. The apparatus will

be a steady-state device, will accommodate specimens up to 6 cm in diameter

and 1.3 cm thick, and will operate in either a gas or high vacuum environment.

Design of the system has been completed and construction begun. Other agency

funding is being sought to supplement in-house support in FY86. A cooperative

program for utilization of this apparatus has been established with the Center

for Ceramic Research at Rutgers University, and a tentative program

established with the Advanced Materials Institute (Colorado School of Mines

and several industrial subscribers).

A second apparatus is required to satisfy the very high temperature

(1000 C) thermal conductivity needs. Design of this system is now

being considered; a transient technique will probably be chosen. Development

of this system will follow proof testing of the steady-state system.

Currently available apparatuses to study thermal expansion and heat capacity

will be modified as required t© allow use at high temperatures.

Oxidation of Metals in High Pressure/High Temperature Oxygen

J.W. Bransford, J.A. Hurley

A program to design and operate a Thermogravimetric apparatus (TGA) has

been undertaken. The TGA apparatus, now in the design stage, will be used to

directly determine the oxidation rate of various metal alloys in hightemperature/high-pressure oxygen.

The data generated by these studies will be of interest to all users of

oxygen at high temperature and elevated pressure.

- 16 -
5. HONORS AND AWARDS

Howard J.M. Hanley -

Richard D. Noble

Nell A. Ollen

Department of Commerce, Gold Medal Award for his

pioneering studies on fluids out of equilibrium,

resulting in profound changes in understanding of

nonlinear phenomena and new bases for design of chemical

processes

.

The American Telephone and Telegraph Foundation Award of

the American Society of Engineering Education for

excellence in teaching engineering courses as an associate professor adjunct at the University of Colorado

in Boulder.

The Centennial 100 Alumni Award for outstanding

accomplishments from the South Dakota School of Mines and

Technology, March 1985.

6 . PUBLICATIONS

Arp, V., A Comparison of centrifugal and fountain effect pumps, to be

published in Cryogenics.

Baird, R.S., Bunge, A.L. and Noble, R.D., Batch extraction of amines

using emulsion liquid membranes- - importance of reaction reversibility,

to be published in AIChE J.

Baltatu, M.E.

,

Ely, J.F., Hanley, H.J.M., Graboski, M.S., Perkins, R.A.

and Sloan, E.D., Thermal conductivity of coal derived liquids and

petroleum fractions, Ind. Eng. Chem. Proc . Des. & Dev., Vol. 24, No.

2, pp. 326-332 (1985).

Bateman, B.R., A pitot tube to measure velocity profiles in process

streams, to be published in Chemical Engineering "Plant Notebook."

Bransford, J.W., Laser-initiated combustion studies on metallic alloys in

pressurized oxygen, Nat. Bur. of Stand. (U.S.) NBSIR 84-3013 (Aug.

1984)

.

Bransford, J.W.

,

The determination of the ignition and combustion

temperature of metals by laser heating, ASTM-STP, publication in

progress

.

- 17 -
Brennan, J.A., McManus, S.E., Sindt, C.F., Bateman, B.R., Pantoja, I.V.

and Mann, D. , Basic gas metering - Annual report (April 1984 - March

1985), GRI Annual Report (Limited Distribution).

Bruno, T.J., An apparatus for direct fugacity measurements of mixtures

containing hydrogen, Nat. Bur. Stand. (U.S.) J. Res., Vol . 90, No. 2,

p. 127 (Mar. -Apr. 1985).

Bruno, T. J.

,

A simple gas sampling and injection apparatus, J.

Chromatogr. Sci., Vol. 23, pp. 325-327 (July 1985).

Bruno, T.J., Vortex refrigeration of HPLC components, to be published in

Liquid Chromatography.

Bruno, T.J., Laboratory scale electrodeposition, part I, concepts and

theory, to be published in J. of Chem. Education.

Bruno, T.J., Laboratory scale electrodeposition, part II, practice and

applications, to be published in J. of Chem. Education.

Bruno, T.J. and Hume, G.L. Hydrogen component fugacities in binary

mixtures with carbon dioxide, to be published in Int . J. of

Thermophysics

.

Bruno, T.J. and Hume, G.L., A high temperature, high pressure reactionscreening apparatus, Nat. Bur. Stand. (U.S.) J. Res., Vol. 90, No. 3,

pp. 255-257 (May-June 1985).

Bruno, T.J. and Sheperd, J.G., Miniature mercury contact switches for

chromatrographic applications, to be published in Analytical

Chemistry

.

Bruno, T. J. and Shephard, J.G., Miniature mercury contact switches for

instrument temperature control, to be published in Nat. Bur. Stand.

(U.S.) J. of Res.

Bruno, T.J. and Shepherd, J.G., A miniature contact thermometer for

student use, to be published in J. of Chem. Education.

Bruno, T.J. and Straty, G.C., Thermophysical property measurement on chemically reacting systems - A case study, to be published in Nat.

Bur. Stand. (U.S.) J. of Res.

Bruno, T. J.

,

Hume, G.L. and Ely, J. F., Hydrogen component fugacities in

binary mixtures with propane and methane, to be published in Int. J. of Thermophysics.

- 18 -
Callanan, J.E. and Filla, B.J., A laboratory-scale controlled-atmosphere

chamber for use with premium coal samples. Rev. Sci. Instrum. , Vol

.

56, No. 4, pp. 592-595 (Apr. 1985).

Callanan, J.E., Sullivan, S.A. and Vecchia, D.F., Feasibility study for

the development of standards using differential scanning calorimetry,

Nat. Bur. Stand. (U.S.) Spec. Pub. SP 260-99 (1985).

Callanan, J.E., Sullivan, S.A. and Vecchia, D.F., Standards development

for differential scanning calorimetry, to be published in Nat. Bur.

Stand. (U.S.) J. of Res.

Diller, D.E. and Ball, M.J., Measurement of the shear viscosity

coefficients of compressed gaseous and liquid carbon dioxide, to be

published in Int . J. of Thermophysics.

Diller, D.E. and Van Poolen, L.J., Measurements of the viscosities of

saturated and compressed liquid normal butane and isobutane, Int. J.

of Thermophysics, Vol. 6, No. 1, pp. 43-62 (Jan. 1985).

Diller, D.E., Gallagher, J.S., Morrison, G., Rainwater, J.D., Sengers,

J.M.H., Sengers, J.V., et al., Thermophysical properties of working

fluids for binary geothermal cycles, Nat. Bur. Stand. (U.S.) NBSIR 85-

3124 (May 1985).

Ely, J.F., A test of the mean density approximation for Lennard- Jones

mixtures with large size ratios, to be published in Int. J. of

Thermophysics

.

Ely, J.F., Improved mixing rules for one-fluid conformal solution

calculations, to be published in ACS Symposium Series.

Friend, D.G., The phase space subdivision of the second virial

coefficient, J. Chem. Phys . , Vol. 82, No. 1, pp . 967-971 (Jan. 1985).

Friend, D.G. and Roder, H.M. , Thermal -conductivity enhancement near the

liquid-vapor critical line of binary methane-ethane mixtures, Phys.

Rev. A, Vol. 32, No. 3, pp . 1941-1944 (Sept. 1985).

Ginley, D., The development of a performance test procedure and

measurement technique in a batch mixing system, Nat. Eur. Stand.

(U.S.) NBSIR 85-3030 (July 1985).

Hanna, G.J. and Larson, K.M. , The influence of preparation parameters on internal droplet size distribution of emulsion liquid membranes, Ind.

Eng. Chem. Prod. Res. & Dev., Vol. 24, No. 2, pp. 269-274 (June

1985)

.

- 19 -
Hanna, G.J. and Noble, R.D., Measurement of liquid- liquid interfacial

kinetics, to be published in Chemical Reviews.

Haynes, W.M. , Orthobaric liquid densities and dielectric constants of

carbon dioxide, to be published in Advances in Cryo. Eng.

Haynes, W.M. , Orthobaric liquid densities and dielectric constants of

ethylene, Cryogenics, Vol. 25, pp. 68-70 (Feb. 1985).

Haynes, W.M. , McCarty, R.D., Eaton, B.E. and Holste, J.C., Isochoric

(P,V,T) measurements on (methane + ethane) from 100 to 320 K at

pressures to 35 MPa, J. Chem. Thermodyn. , Vol. 17, pp. 209-232

(1985) .

Holland, P.M. , Biolsi, L. and Rainwater, J.C., Predicting transport

properties without adjustable parameters: argon, to be published in

Chemical Physics.

Hord, J. , Survey of measurement needs in the chemical and related

industries, Nat. Bur. Stand. (U.S.) NBSIR 85-1087 (July 1985).

Hord, J., Center for Chemical Engineering Technical Activities: Fiscal

Year 1984, Nat. Bur. Stand. (U.S.) NBSIR 84-3019 (Feb. 1985).

Hust, J.G., Glass fiberboard SRM for thermal resistance, Nat. Bur. Stand.

(U.S.) Spec. Pub., SP 260-98, to be published.

Hust, J.G., Glass fiberblanket SRM for thermal resistance, Nat. Bur.

Stand. (U.S.) Spec. Pub., SP 260-103 (Aug. 1985).

Hust, J.G., Status of thermal conductivity standard reference materials

at the NBS , Thermal Conductivity, Vol. 18, pp. 327-337 (1985).

Hust, J.G. and Lankford, A.B., Thermal conductivity, CODATA Bulletin, to

be published.

Hust, J.G. and Pelanne, C.M., ASTM C-16. 30/MIMA - Round robins on the

thermal properties of low-density glass fiber insulations using

guarded hot plate and heat flow meter apparatus, Nat. Bur. Stand.

(U.S.) NBSIR 85-3026 (May 1985).

Jones, M.C. and Persichetti, J.M., Convective instability in fixed-bed

reactors. Submitted to AIChE Journal (1984).

- 20 -
Koval, C . A .

,

Noble, R.D., Reyes, Z.E., Way, J.D., Louie, B., Bateman,

B.R., Horn, G.M. and Reed, D.L, The selective transport of gaseous CO

through liquid membranes using an iron (II) microcyclic complex,

Inorg. Chem. , Vol. 24, pp. 1147-1152 (1985).

Leiber, J.P., Noble, R.D., Way, J.D. and Bateman, B.R., Mathematical

modeling of facilitated liquid membrane transport systems containing

ionically charged species, to be published in Sep. Sci. Technol.

Ledbetter, H., Austin, M.W. and Callanan, J.E., Internal friction and

dynamic Young modulus of bituminous coal, ACS Fuel Division Preprints,

Vol. 30, No. 1, p. 127 (1985).

Louie, B. and Radebaugh, R. , The Stirling cycle and cryogenic

refrigerators, Proc . 19th Intersoc. Energy Conversion Engr'g. Conf.,

San Francisco, pp . 2086-2091 (Amer. Nuclear Soc., LaGrange, IL, 1984).

Louie, B. , Kemp, N.J. and Daney, D.E., Cryogenic propellant scavenging.

Final Report, Aug. 1982-Mar. 1985, Nat. Bur. Stand. (U.S.) NBSIR 85-

3023 (Mar. 1985).

Louie, B., Radebaugh, R. and Early, S., A thermometer for fast response

in cryogenic flow, to be published in Adv. in Cryogenic Eng.

Magee, J.W. and Ely, J.F., Specific Heats [Cv] of saturated and

compressed liquid and vapor carbon dioxide, to be published in Int . J. of Thermophysics.

Mann, D. and Brennan, J.A., LNG property data and metrology technology,

Proc. of 16th Int. Gas Conf., Munich, W. Germany, pp . 1-10 (Int. Gas

Union, Paris, France, June 1985).

Mann, D., LNG Measurement, A Users' Manual for Custody Transfer, Nat.

Bur. Stand (U.S.) NBSIR, to be published.

Mansoori, G.A. and Ely, J.F., Density expansion (DEX) mixing rules:

Thermodynamic modeling of supercritical extraction, J. Chem. Phys .

,

Vol. 82, No. 1, pp. 406-413 (Jan. 1985).

Mansoori, G.A. and Ely, J.F., Statistical mechanical theory of local

compositions, Fluid Phase Equilibria, Vol. 22, pp . 253-275 (1985).

McManus, S.E., Bateman, B.R., Brennan, J.A. and Vazquez, I., The decay of

swirling gas flow in long pipes, American Gas Association, 1985

Operating Section Proc., pp. 629-633 (American Gas Association,

Arlington, VA, 1985).

- 21 -
Niiya, K.Y. and Noble, R.D., Competitive facilitated transport through

liquid membranes, J. Membr . Sci., Vol . 23, pp . 183-198 (1985).

Noble, R.D., The effect of external mass transfer resistance on facilitated transport, to be published in I & EC Fundamentals.

Noble, R.D., Way, J.D. and Powers, L.A. , Boundary layer effects in

facilitated transport liquid membranes, AIChE Symp. Series, to be

published

.

Noble, R.D., Way, J.D. and Bunge, A.L., Liquid membranes, to be published

in Solvent Extraction and Ion Exchange, Vol. 10.

Noble, Richard D., An overview of membrane separations, to be published

in Sep. Sci. and Tech.

Olien, N.A. and Raveche, H.J., Thermophysical property data generated by

the NBS Center for Chemical Engineering, to be published in AIChE

Symp. Series 237, Vol. 80, pp. 101-108 (1984).

Oshmyansky, Y. , Hanley, H.J.M., Ely, J.F. and Kidnay, A.J., The

viscosities and densities of selected organic compounds and mixtures

of interest in coal liquefaction studies, to be published by Int . J. of Thermophysics.

Radebaugh, R. , Book Review: Matter at Low Temperatures, to be published

in Cryogenics.

Radebaugh, R. and Louie, B. , A simple, first step to the optimization of

regenerator geometry, Proc . of the 3rd Cryocooler Conf., to be

published

.

Radebaugh, R. , Louie, B. and McCarthy, S., Proceedings of the Third

Cryocooler Conference, Sept. 17-18, 1984, Boulder, CO, NBS Spec. Pub.

SP 698 (May 1985).

Radebaugh, R. , Zimmerman, J., Smith, D.R. and Louie, B., A comparison of

three types of pulse tube refrigerators, and methods for reaching 60K,

to be published in Adv. in Cryo. Eng.

Rainwater, J.C. and Hanley, H.J.M., Non-Newtonian flow between concentric

cylinders and the effects of finite compressibility, to be published

in Int. J. of Thermophysics.

Rainwater, J.C. and Williamson, F.R., Vapor-liquid equilibrium of near- critical binary alkane mixtures, to be published in Int. J. of

Thermophysics

.

- 22 -
Rainwater, J.C., Hanley, Paskiewicz, T. and Petru, Z., NonNewtonian flow of a model liquid between concentric cylinders, J.

Chem. Phys., Vol. 83, No. 1, pp. 339-347 (July 1985).

Roder, H.M., The thermal conductivity of parahydrogen , J. Chem. Eng.

Data, Vol. 29, No. 4, pp. 382-386 (Oct. 1984).

Roder, H.M., The thermal conductivity of methane for temperatures between

110 and 310 K with pressures to 70 MPa, Int . J. of Thermophysics, Vol.

6, No. 2, pp. 119-142 (Mar. 1985).

Roder, H.M. and Friend, D.G., The thermal conductivity of methane- ethane

mixtures at temperatures between 140 and 330 K and at pressures up to

70 MPa, to be published in Int. J. of Thermophysics.

Roder, H.M. and Friend, D.G., Experimental thermal conductivity values

for mixtures of methane and ethane, Nat. Bur. Stand. (U.S.) NBSIR 85-

3024 (Mar. 1985).

Romig, K.D. and Hanley, H.J.M., Calculation of phase equilibria in

nitrogen-ethane by extended corresponding states, to be published in

Cryogenics

.

Sikdar, S.K., The world of polycarbonates, to be published in Chemtech.

Sparks, L.L. and Arvidson, J.M., Thermal and mechanical properties of

polyurethane foams at low temperatures, SPI - 28th Annual

Tech/Marketing Conf., pp. 273-286 (Tech. Pub. Co., Lancaster, PA,

1984) .

Sparks, L.L. and Arvidson, J.M., Thermal and mechanical properties of

polyurethane foams at low temperatures, J. Ther. Insulation, Vol. 8,

pp. 198-232 (Jan. 1985).

Steward, W.G., A centrifugal pump for superfluid helium, to be published

in Cryogenics.

Straty, G.C. and Palavra, A.M.F., Automated high temperature PVT

apparatus with data for propane, Nat. Bur. Stand. (U.S.) J. Res., Vol.

89, No. 5, pp. 375-383 (Sept.- Oct. 1984).

Straty, G.C., Palavra, A.M.F. and Bruno, T.J., PVT of methanol at elevated

temperature, to be published in Int. J. of Thermophysics.

Voth, R.O., Producing liquid-solid mixtures (slushes) of oxygen and

hydrogen using an auger, to be published in Cryogenics.

- 23 -
Way, J.D.

,

Noble, R.D. and Bateman, B.R., Selection of supports for

immobilized liquid membranes. Material Science of Synthetic Membranes,

ACS Symp. Series, No. 269, American Chemical Society, Ed. by D.R.

Lloyds, pp. 119-128 (1985).

Weber, L.A.

,

Vapor-liquid equilibria measurements for carbon dioxide with

normal and isobutane from 250 to 280 K, Cryogenics, Vol. 25, pp. 338-

342 (1985).

Younglove, B.A. and Hanley, H.J.M., The viscosity and thermal

conductivity coefficients of gaseous and liquid argon, to be published

in J. Phys . & Chem. Ref. Data.

Younglove, B.A. and Olien, N.A.

,

Tables of industrial gas container

contents and density for oxygen, argon, nitrogen, helium, and

hydrogen, Nat. Bur. Stand. (U.S.) Tech. Note TN 107 (June 1985).

7. TALKS

Radebaugh, R. , Regenerators for Magnetic Refrigeration, Workshop on Magnetic

Refrigeration, Los Alamos, NM, Sept. 20, 1984.

Bruno, T. J.

,

Instrumental Aspects of Supercritical Fluid Chromatography,

Georgetown University, Washington, DC, Oct. 19, 1984.

Sparks, L.L., Thermal and Mechanical Properties of Polyurethane Foams at

Cryogenic Temperatures, 28th Annual Polyurethane Division

Technical/Marketing Conference, Society of the Plastics Industry, San

Antonio, TX, Nov. 7, 1984.

Fox, J.R., Nonclassical Equations of State, Rice University, Houston, TX,

Nov. 8, 1984.

Bruno, T.J., Direct Fugacity Measurements on Hydrogen Mixtures, Colorado

School of Mines, Golden, CO, Nov. 9, 1984.

Siegwarth, J.D., Vortex Shedding Flowmeters for Space Shuttle Use, Chemical

Engineering Science Division Colloquium, Boulder, CO, Nov. 9, 1984.

Bruno, T.J., Direct Fugacity Measurements on Hydrogen Mixtures, AIChE 1984

Annual Meeting, San Francisco, CA, Nov. 11, 1984.

Noble, R.D., Facilitated Transport of Gases Through Liquid Membranes, Rutgers

University, Piscataway, NJ, Nov. 15, 1984.

- 24 -
Rainwater, J.C., Density Corrections to Gas Transport Properties: A Tentative

Answer to a 67 -year-old Problem, Chemical Engineering Science Division

Colloquium, Boulder, CO, Nov. 20, 1984.

Larson, K.M.

,

Carrier Enhanced Acetic Acid Extraction with Emulsion Liquid

Membranes, AIChE 1984 Annual Meeting, San Francisco, CA, Nov. 26, 1984.

Noble, R.D., Mathematical Modeling of Facilitated Transport Membranes, Dow

Chemical Co., Walnut Creek, CA, Nov. 27, 1984.

Ely, J.F., Statistical Mechanical Theory of Local Composition, AIChE 1984

Annual Meeting, San Francisco, CA, Nov. 28, 1984.

McManus, S.E., The Decay of Swirl in Turbulent Compressible Flow in a Long

Pipe, Chemical Engineering Science Division Colloquium, Boulder, CO, Dec.

3, 1984.

Rainwater, J.C., Density Corrections to Transport Properties for Gases with

Realistic Potentials, University of Florida, Gainesville, FL, Dec. 11,

1984.

McManus, S.E., The Decay of Turbulent Swirling Flows in a Long Pipe, American

Gas Association Transmission Measurement Committee Meeting, Arlington, VA,

Jan. 28, 1985.

Friend, D.G., Transport Properties in Fluids, University of Colorado, Denver,

CO, Feb. 22, 1985.

Noble, R.D.

,

Chemical Complexation Using Liquid Membranes, Chemical

Engineering Science Division Colloquium, Boulder, CO, Mar. 22, 1985.

Noble, R.D. (Coauthors: Way, J.D. and Powers, L.A.), Boundary Layer Effects in

Facilitated Transport of Liquid Membranes, AIChE Spring National Meeting,

Houston, TX, Mar. 25, 1985.

Olien, N.A., Future Needs in Thermophysical Property Research: Experiment,

Theory and Data Evaluation, AIChE Spring National Meeting, Houston, TX,

Mar. 25, 1985.

Hanna, G.J. (Coauthor: Noble, R.D.), Measurement of Liquid-Liquid Interfacial

Kinetics, AIChE Spring National Meeting, Houston, TX, Mar. 26, 1985.

Way, J.D. (Coauthors: Noble, R.D. and Reed, D.L.), Facilitated Transport of

Carbon Dioxide in Ion-Exchange Membranes, AIChE Spring National Meeting,

Houston, TX, Mar. 27, 1985.

- 25 -
Siegwarth, J.D., High Flow Velocity Vortex Shedding Flowmeter Design, NBS

Vortex Shedding Consortium Meeting, NBS, Gaithersburg, MD, Mar. 28, 1985.

Noble, R.D.

,

Modeling of Chemical Complexation in Liquid Membranes, Louisiana

Tech. University, Ruston, LA, Mar. 29, 1985.

Noble, R.D., Facilitated Transport of Carbon Dioxide Using Ion Exchange

Membranes, Chemical and Agricultural Engineering Department, Colorado

State University, Fort Collins, CO, Apr. 9, 1985.

Noble, R.D., Facilitated Transport of Carbon Dioxide Using Ion Exchange

Membranes, Thermochemical Institute, Brigham Young University, Provo, UT,

Apr. 12, 1985.

Sikdar, S.K., Amino Acids Separation Using an Ion-Exchange Membrane, Chemical

Engineering Department, University of Colorado, Boulder, CO, Apr. 18,

1985.

Callanan, J.E., Hydrate Thermal Characteristics, U.S. DOE Peer Review of

Unconventional Gas Recovery- -Gas Hydrates Program, Bethesda, MD, Apr. 25,

1985.

Noble, R.D.

,

Facilitated Transport of Carbon Dioxide Using Ion Exchange

Membranes, Chemical and Petroleum Refining Engineering Department,

Colorado School of Mines, Golden, CO, Apr. 26, 1985.

Callanan, J.E., Internal Friction and Dynamic Young's Modulus of a Bituminous

Coal, American Chemical Society, Miami, FL, Apr. 30, 1985.

McManus, S.E., The Decay of Swirling Gas Flow in Long Pipes, American Gas

Association Distribution/Transmission Conference, Boston, MA, May 22,

1985.

Steward, W.G., The Use of a Remote Fusion Reactor as a Domestic Energy Source,

Chemical Engineering Science Division Colloquium, Boulder, CO, May 31,

1985.

Noble, R.D.

,

Gas Separation Using Ion Exchange Membranes, DOE Advanced

Gasification Projects Contractor's Meeting, Morgantown, WV, June 24,

1985.

Diller, D.E., Shear Viscosity Coefficients of Compressed Gaseous and Liquid

Carbon Dioxide, Ninth Symposium on Thermophysical Properties, University

of Colorado, Boulder, CO, June 24, 1985.

- 26 -
Sullivan, S.A., Experimental Determinations of Thermal Properties of Coal in

Varying Atmospheres: Specific Heats and Heats of Desorption of Water,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 25, 1985.

Rainwater, J.C., Non-Newtonian Flow Between Concentric Cylinders and the

Effects of Finite Compressibility, Ninth Symposium on Thermophysical

Properties, University of Colorado, Boulder, CO, June 25, 1985.

Magee, J.W., Specific Heats [Cv] of Saturated and Compressed Liquid and Vapor

Carbon Dioxide, Ninth Symposium on Thermophysical Properties, University

of Colorado, Boulder, CO, June 25, 1985.

McCarty, R.D., Extended Corresponding States, Is It a Viable tool for the

Prediction of the Thermodynamic Properties of Mixtures, Ninth Symposium on Thermophysical Properties, University of Colorado, Boulder, CO,

June 25, 1985.

Friend, D.G. (Coauthor: Roder, H.M.), The Thermal Conductivity of MethaneEthane Mixtures at Temperatures between 140 and 330 K and at Pressures up

to 70 MPa, Ninth Symposium on Thermophysical Properties, University of

Colorado, Boulder, CO, June 25, 1985.

Olien, N.A., Evaluated Engineering Data from the National Bureau of Standards,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 26, 1985.

Rainwater, J.C., Vapor-Liquid Equilibrium of Near-Critical Binary Mixtures,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 26, 1985.

Roder, H.M. (Coauthor: Friend, D.G.), The Thermal Conductivity Enhancement in

Three Binary Methane -Ethane Mixtures, Ninth Symposium on Thermophysical

Properties, University of Colorado, Boulder, CO, June 26, 1985.

Bruno, T.J., Direct Fugacity Measurements on ^/C^, H^/C , H /CO , Ninth

Symposium on Thermophysical Properties, University or Colorado, Boulder,

CO, June 26, 1985.

Fox, J.R., Rescaled Cubic Equations of State, Ninth Symposium on Thermophysical Properties, University of Colorado, Boulder, CO, June 26, 1985.

Siegwarth, J.D., High Flow Velocity Vortex Shedding Flowmeter Design,

NASA-MSFC , Huntsville, AL, June 27, 1985.

- 27 -
Noble, R.D., Gas Separations Using Chemical Complexat ion , du Pont Polymer

Products Department, Experimental Station, Wilmington, DE, July 18, 1985.

Way, J.D., Facilitated Transport in Ion Exchange Membranes, du Pont

Experimental Station, Polymer Products Department, Wilmington, DE,

July 18, 1985.

Giarratano, P.J., Experiments in Zero-G on Board a NASA KC135, Boulder Kiwanis

Club, Boulder, CO, July 18, 1985.

Louie, B. , A Thermometer for Fast Response in Cryogenic Flow, 1985 Cryogenic

Engineering Conference, Massachusetts Institute of Technology, Cambridge,

MA, Aug. 13, 1985.

Haynes, W.M.

,

Orthobaric Liquid Densities and Dielectric Constants of Carbon

Dioxide, Cryogenic Engineering Conference, Massachusetts Institute of

Technology, Cambridge, MA, Aug. 15, 1985.

Steward, W.G., A Centrifugal Pump for Superfluid Helium, NASA Helium Transfer

in Space Workshop, NBS, Boulder, CO, Aug. 21, 1985.

Friend, D.G. (Coauthor: Roder, H.M.), Enhancement of the Thermal Conductivity

Near the Liquid-Vapor Critical Line of Binary Me thane -Ethane Mixtures,

Gordon Research Conference on Physics and Chemistry of Liquids, Plymouth,

NH, Aug. 21, 1985.

Friend, D.G. (Coauthor: Rainwater, J.C.), Theory of Viscosity and Thermal

Conductivity of Dense Gases, Gordon Research Conference on Physics and

Chemistry of Liquids, Plymouth, NH, Aug. 22, 1985.

Sullivan, S.A., Heat Capacity of Titanium from 320-560 K, Fortieth Calorimetry

Conference, Pacific Grove, CA, Aug. 26, 1985.

Magee, J.W.

,

Specific Heat [Cv] Measurements of Compressed Vapor and Liquid

(Methane + Ethane) Mixtures, Fortieth Calorimetry Conference, Pacific

Grove, CA, Aug. 26, 1985.

Bunge, A.L. (Coauthor: Noble, R.D.), Influence of Reversible Consumption on Continuous Flow Extraction by Emulsion Liquid Membranes, AIChE Summer

National Meeting, Seattle, WA, Aug. 26, 1985.

Baird, R.S. (Coauthors: Bunge, A.L. and Noble, R.D.), Batch Extraction of

Amines Using Emulsion Liquid Membranes --Importance of Reaction

Reversibility, AIChE Summer National Meeting, Seattle, WA, Aug. 27, 1985.

- 28 -
Callanan, J.E., The Gamma-Gamma and Melting Transitions in a Hafnium-Bearing

Superalloy, Fortieth Calorimetry Conference, Pacific Grove, CA, Aug. 27,

1985.

Filla, B.J., Heats of Desorption from Porous Solids, Fortieth Calorimetry

Conference, Pacific Grove, CA, Aug. 28, 1985.

Callanan, J.E., Reversible Effects in Heat Capacity Measurements of

Insulations, Fortieth Calorimetry Conference, Pacific Grove, CA, Aug. 29,

1985.

Hiza, M.J., Data for the Chemical Industry: An Overview of International Data

Projects and Quality Control of Computerized Thermophysical Property Data

Bases, International Meetings on Phase Equilibria and Related Property

Data, Universitaire de Paris, Paris, France, Sep. 9, 1985.

Baltatu, M. --Fluor Corp . (Coauthors: Olien, N.A. and Hanley, H.J.M.),

Thermophysical Properties Data Bases: A Realistic Assessment from the

Industrial -Academic Viewpoint, International Meetings on Phase Equilibria

and Related Property Data, Universitaire de Paris, Paris, France, Sep. 9,

1985.

Noble, R.D., Model of a Cellular Bioreactor for Cellobiosic Hydrolysis, ENEA,

Laboratorio Chimica Applicata, Rome, Italy, Sep. 17, 1985.

Noble, R.D., Modeling of a Biomedical Reactor for Pancreas: Stability,

Duration, and Biocompatibility, ENEA, Laboratorio Chimica Applicata, Rome,

Italy, Sep. 19, 1985.

McManus, S.E., The Decay of Swirl, Colorado School of Mines, Golden, CO, Oct.

3, 1985.

Perkins, R.A.

,

Calorimetry of Natural Gas Hydrates, Colorado School of Mines,

Golden, CO, Oct. 9, 1985.

Way, J.D. (Coauthors: Noble, R.D. and Powers, L.A.), Facilitated Transport of

Acid Gases in Ion Exchange Membranes, ACS Pacific Conference on Chemistry

and Spectroscopy, San Francisco, CA, Oct. 10, 1985.

Callanan, J.E., Effects of Desorption of Water During Heat Capacity

Measurements of Raw Coals, Electrochemical Society Meeting, Las Vegas, NV,

Oct. 15, 1985.

Noble, R.D., An Overview of Membrane Separations, Fourth Symposium on Separation Science and Technology for Energy Applications, Knoxville, TN,

Oct. 24, 1985.

- 29 -
Fox, J.R., Forth What Is?, Chemical Engineering Science Division Colloquium,

Boulder, CO, Oct. 25, 1985.

Siegwarth, J.D., High Flow Velocity Vortex Shedding Flowmeter Design, The NBS

Vortex Shedding Consortium Meeting, NBS, Gaithersburg, MD, Oct. 31, 1985.

8. COMMITTEE MEMBERSHIPS AND EDITORSHIPS

COMMITTEE MEMBERSHIPS

J . A . Brennan

Amer. Gas Assoc. Transmission Measurement Committee (Technical

Advisor)

OIML, U.S. National Working Group, SP5P/SR2 (Member)

D . E

.

Daney

Boulder Editorial Review Board (Member)

R.D. Noble

American Society for Engineering Education (ASEE) , Chemical

Engineering Division (Member)

Gordon Conference on Separation and Purification (Vice Chairman 1986,

Chairman 1987)

ASEE Rocky Mountain Section 1984 (Program Chairman)

R.O. Voth

Division 773 Hazards Review Committee (Chairman)

M.J. Hiza

AIChE National Cryogenics Committee, 13h

CODATA Task Group on Data for the Chemical Industry (Member)

- 30 -
J. Hord

AIChE Research Committee (Member and Chairman of Oversight

Subcommittee)

AIChE Government Programs Steering Committee (Liaison to Research

Committee)

D.E. Diller

ASTM D-3 Gaseous Fuels Committee, Thermophysical Properties

Subcommittee (Member)

J.F. Ely

AIChE Program Committee Area 1-a, Thermodynamics and Transport

Properties (Chairman)

Gas Processors Association Data Book Revision Committee (Member)

AIChE/DIPPR Technical Committee 802 (Member)

NBS/NEL Technical Evaluation Committee (Member)

D.G. Friend

Boulder Editorial Review Board (Member)

H.J.M. Hanley

ASME Thermophysical Properties Committee (Chairman)

International Union of Pure and Applied Chemistry Committee on Quantum Fluids (Member)

International Union of Pure and Applied Chemistry Commission on Transport Properties (Member)

R.D. McCarty

AIChE/DIPPR Vapor Pressure and Density Subcommittee (Member)

- 31 -
N.A. Olien

ASTM D-3 Gaseous Fuels (Member)

Gas Research Institute Steering Committee on Revision of AGA 3/NX- 19

(Member)

IUPAC Committee on Transport Properties (Corresponding Member)

Program Committee, International Symposium on Fluid Flow

Measurements (Member)

H.M. Roder

International Union of Pure and Applied Chemistry Committee on Quantum Fluids (Member)

NBS Computer Advisory Committee (Member)

NBS-NOAA - Joint Computer Advisory Committee (Member)

B.A. Younglove

Division 773 Hazards Review Committee (Member)

J.W. Bransford

ASTM G4 Committee on Materials Compatibility and Sensitivity in

Oxygen Enriched Atmosphere, Test Methods Subcommittee (Member)

Division 773 Hazards Review Committee (Member)

J.E. Callanan

Calorimetry Conference Board of Directors (Director)

Calorimetry Conference Standards Committee (Member)

ASTM E37 on Thermal Measurements, Test Methods and Recommended

Practices Subcommittee (Member) , and Standard Reference Materials

Subcommittee (Chairman)

American Chemical Society, Fuel Division (Membership Chairman)

ACS Regional Meeting, Symposium Co-chairman, 1986

- 32 -
J.G. Hust

ASTM C16 on Thermal Insulations, Thermal Measurements Subcommittee

(Member)

ASTM E37 on Thermal Measurements, Standard Reference Materials

Subcommittee (Member)

International Thermal Conductivity Conference (Member of Governing

Board)

R. Radebaugh

Federal Government Interagency Panel on Refrigeration (Member)

Cryogenic Engineering Conference Board (Chairman)

Conference on Cryocoolers- -1986 (Program Committee)

L.L. Sparks

ASTM E20 on Temperature Measurement, Thermocouples Subcommittee

(Member)

ASTM C16 on Thermal Insulation, Thermal Measurement Subcommittee

(Member)

ASTM C9 on Concrete and Concrete Aggregates (Member)

S. A. Sullivan

Rocky Mountain Thermal Analysis Forum, Board of Directors (Chairman)

EDITORSHIPS

J.D. Way

Journal of Membrane Science, Proceedings of the Membrane Separation

Technology Symposia at the 1983 Denver AIChE Meeting (Guest Editor)

,

Vol . 21, pp. 1-112 (1984)

- 33 -
H.J.M. Hanley

NBS Journal of Research (Boulder Editor)

International Journal of Thermophysics (Editorial Board)

W.M. Haynes

Cryogenics (U.S. Advisory Editor)

M. J. Hiza

Fluid Phase Equilibria (Editorial Board)

N

.

A . Olien

Journal of Physical and Chemical Reference Data (Editorial Board)

J.G. Hust

Review of Scientific Instruments (Editorial Board)

Journal of Thermal Insulation (Editorial Board)

9. PROFESSIONAL INTERACTIONS

FACULTY APPOINTMENTS

M.C. Jones

Adjunct Associate Professor, Department of Chemical Engineering and

Petroleum Refining, Colorado School of Mines

R.D, Noble

Associate Professor Adjunct, Department of Chemical Engineering, University

of Colorado

J.F. Ely

Adjunct Professor, Department of Chemical Engineering and Petroleum

Refining, Colorado School of Mines

H.J.M. Hanley

Professor Adjoint, Department of Chemical Engineering, University of

Colorado

- 34 -
M.J. Hiza

Adjunct Professor, Department of Chemical Engineering, University of

Wyoming

J.C. Rainwater

Associate Professor Adjoint, Department of Physics, University of Colorado

INDUSTRY

B.R. Bateman

Cooperative Research with M.D. Freeman, the Foxboro Company, Foxboro, MA, on flow measurement.

Consultation with F.W. Sullivan, Chairman, Gas Research Institute Basic

Gas Metering Committee, Brooklyn Union Gas Co., Brooklyn, NY, on natural

gas custody transfer.

Consultation with S. Walker, Goodflow Products, Tulsa, OK, on the design

of experimental orifice meters.

Consultation with H.W. Fisher, Manager, Gas Products Engineering/

Research, Rockwell International, Pittsburgh, PA, on the design of

experimental orifice meters.

Consultation with D.D. Barnes, Fluidic Techniques, Mansfield, TX, on the

design of experimental meters.

J.A. Brennan

Consultation with N.A. Verini, Airco Industrial Gases, Murray Hill, NJ, on CGA flow measurement standards.

Consultation with F.W. Sullivan, Chairman, Gas Research Institute Basic

Gas Metering Committee, Brooklyn Union Gas Company, Brooklyn, NY, on custody transfer of natural gas.

Consultation with C. Griffis and R. Norman, Gas Research Institute,

Chicago, IL, on flow measurement research.

D.E. Daney

Consultation with J. Dillard, Barber-Nichols Engineering Company,

Denver, CO, on cryogenic pumps.

Consultation with B.W. Birmingham, B.W. Birmingham Associates, Boulder,

CO, on cryogenic heat transfer.

- 35 -
D.M. Ginley

Consultation with D. Dickey, Chemineer Co., Dayton, OH, on the design and

selection of mixing equipment and key measurements for a 100 to 300

gallon capacity experimental facility.

Consultation with J. Oldshue, Mixco, Rochester, NY, on the design and

selection of mixing equipment and key measurements for a 100 to 300

gallon capacity experimental facility.

K.M. Larson

Consultation with P. Mattison, Henkel Corporation, Minneapolis, MN, on complexing agents in separation processes.

Consultation with R. Busche, du Pont Co., Wilmington, DE, on acetic acid

recovery

.

Consultation with R. Eltz, Monsanto Co., St. Louis, MO, on separations of

proteins

.

D . B . Mann

Consultation with F.W. Sullivan, Chairman, Gas Research Institute

Basic Gas Metering Committee, Brooklyn Union Gas, Brooklyn, NY, on custody transfer of natural gas.

Consultation with L. Bell, GIIGNL, Western LNG Corp. , Los Angeles, CA, on metrology of liquefied natural gas.

Consultation with P. Hoglund, Chairman, AGA Gas Custody Transfer

Committee, Washington Natural Gas, Seattle, WA, on orifice metering of

natural gas

.

Cooperative research with R. Norman, Gas Research Institute, Chicago, IL, on flow metering research.

S . E

.

McManus

Collaborative research with C. Griffis, Gas Research Institute, Chicago,

IL, on the decay of turbulent, compressible swirling flow in long pipes.

D.L. Reed

Consultation with J. Mosely, Dow Chemical Co.

,

Walnut Creek, CA, on polymeric and ion exchange membrane applications in the gas industry.

S.K. Sikdar

Consultation with D. Woodruff, General Electric Company, Schenectady, NY, on chemical vapor deposition.

- 36 -
Consultation with M. Mickley, Independent Consultant, Boulder, CO, on the

water shortage problem and membrane transport.

Consultation with A. Michaels, President, Alan D. Michaels, Inc.,

Boston, MA, on biochemical separation.

C.F. Sindt

Consultation with W. Siedl and C. Briton, Colorado Engineering

Experimental Station, Nunn, CO, on flow measurement.

Consultation with J. Jones and G. Less, Natural Gas Pipeline Company of

America, Joliet, IL, on natural gas flow measurement.

Consultation with personnel of Colorado Interstate Gas, Denver, CO, on natural gas flow measurement.

W.G. Steward

Consultation with Creare , Inc., Hanover, NH, on helium cooled coils.

I. Vazquez

Consultation with E.E. Buxton, Flow Measurement Consultant, St. Albans,

WV, on Ohio State University water tests data base.

Consultation with W.A. Fling, Vice-President, Cities Services R & D

Corporation, Tulsa, OK, on Ohio State University water tests data base.

J. D. Way

Cooperative research with U. Bonne and D. Deetz of the Honeywell Physical

Sciences Center, Minneapolis, MN, on chemically based sensors.

Consultation with D. Roberts, SRI International, Menlo Park, CA, on membrane technology.

J.F. Ely

Cooperative research with M.E. Baltatu, Fluor Engineering Inc., Irvine,

CA, on properties of petroleum fractions and coal liquids.

Technical Manager of industrial consortium, consultation with member

companies involved: Air Products and Chemicals, Inc., Allied Chemical

Corporation, Amoco Production Company, ARCO Transportation Company,

Cooper Energy Services, E.I. du Pont de Nemours and Company, Gas

Processors Association, Mobil Research and Development Corporation,

Monsanto Company, Phillips Petroleum Company, Shell Development Company,

SOHIO, Texaco Inc., and Ingersoll-Rand Company, on prediction of fluid

properties

.

- 37 -
Cooperation with staff of the Gas Processors Association, Tulsa, OK, and

the Gas Research Institute, Chicago, IL, on fluid properties

predictions

.

H.J.M. Hanley

Cooperative research with J.A. Barker, IBM, San Jose, CA, on theory of

fluids and molecular dynamics

.

Cooperative research with M.E. Baltatu, Fluor Engineering, Inc., Irvine,

CA, on properties of petroleum fractions and coal liquids.

Cooperation with staff of the Gas Research Institute, Chicago, IL, on fluid properties predictions.

M.J. Hiza

Consultation with D.B. Crawford, M. W. Kellogg, Houston, TX, AIChE

Committee 13h, on unit operations topics.

Consultation with T. Selover, SOHIO R&D, Cleveland, OH, on data for the

petrochemical industry and his participation in the activities of the

CODATA Task Group on Data for the Chemical Industry.

Consultation with S.C. Paspek, SOHIO R&D, Cleveland, OH, on industrial

interest in heat transfer, experiments and models, to solute laden

supercritical solvents.

Consultation with L. Sobel, Atochem, Paris, France, on CODATA

activities- -data compilations for the chemical industry.

Consultation with C.F. Spencer, M.W. Kellogg, Houston, TX, on CODATA

activities --data compilations for the chemical industry.

Consultation with D. Zudkevitch, Allied Chemical Corp., Morristown, NJ, on appropriate CODATA guidelines for the reporting of phase equilibria

data for industrial chemicals data bases.

Consultation with M.E. Baltatu, Fluor Engineering Inc., Irvine, CA, on her participation in the activities of the CODATA Task Group on Data for

the Chemical Industry.

Consultation with W.J. Ward, General Electric Co., Schenectady, NY, on current directions and interests in separations research.

- 38 -
J.V. Magee

Consultation with steering committee of industrial consortium whose

member companies are: Air Products and Chemicals, Inc., Allied Chemical

Corporation, Amoco Production Company, ARCO Transportation Company,

Cooper Energy Services, E.I. du Pont de Nemours and Company, Gas

Processors Association, Mobil Research and Development Corporation,

Monsanto Company, Phillips Petroleum Company, Shell Development Company,

SOHIO, Texaco Inc., Ingersoll-Rand Company, on measurements of fluid

properties

.

N.A. Olien

Consultation with L.J. Kemp, So. California Natural Gas, Los Angeles, CA, on standardization of thermophysical properties of natural gas

constituents

.

Consultation with R. Tefankjian, Texas Eastern Transmission Co., Houston,

TX, on property data for natural gas measurement.

Consultation with S.C. Paspek, SOHIO, Cleveland, OH, on properties of

supercritical solvents.

Consultation with W. Barlen, Compressed Gas Association, Arlington, VA, on custody transfer of industrial gases.

Consultation with M. Klein, Gas Research Institute, Chicago, IL, on properties of fluids.

J.C. Rainwater

Collaborative research with P.M. Holland, Proctor & Gamble, Cincinnati,

OH, on transport properties of fluids.

B.A. Younglove

Consultation with W.R. Dagle, Applied Technologies Inc., Boulder, CO, on sound speeds and measurement techniques

.

Consultation with P. Banks, Big Three Industries, Houston, TX, on thermodynamic properties calculations.

Consultation with M. Thompson, Interstate Technologies, Walwick, NJ, on sound speed measurements in water.

Consultation with T.D. Russos, Industrial Materials Technology, Andover,

MA, on argon gas pressurization in metallic powder processing.

Consultation with D. Smith, Liquid Air Corporation, San Francisco, CA, on thermodynamic properties and computer programs.

- 39 -
Consultation with J. Schrecongask, ANSUTECH, King of Prussia, PA, on thermophysical properties.

Consultation with B. Titman, Rockwell International Science Center,

Thousand Oaks, CA, on sound speed measurement techniques in nitrogen,

oxygen, and their mixtures

J.E. Callanan

Consultation with S.C. Mraw, Exxon Corporate Research, Houston, TX, on thermal measurements on coal.

Consultation with C.T. Ratcliffe, Union Oil Research, Brea, CA, on thermal measurements on coal.

Consultation with E. Spear in, Inland Steel, East Chicago, IN, on thermal

property measurements of coal.

J.G. Must

Consultation with C.M. Pelanne, CMP Consultant, Denver, CO, on thermal

insulation standards.

Consultation with H. Mitchell, Manville Corp., Denver, CO, on thermal

insulation standards.

Consultation with R.P. Tye , Dynatech R&D Co., Cambridge, MA, on low

conductivity thermal Standard Reference Materials.

R. Radebaugh

Consultation with S. Russo, Hughes Aircraft, El Segundo, CA, on regenerator efficiency studies.

L.L. Sparks

Consultation with R.P. Tye, Dynatech R&D Co., Cambridge, MA, on ASTM

standards

.

Consultation with R.W. Rosser, Hughes Aircraft, Culver City, CA, on friction and wear of composites.

Consultation with J. Segal, Zeiss Inc., Thornwood, NY, on optical

characterization of solids.

S. A. Sullivan

Cooperative research with P. Dempsey, CAD/CAM Applications, Boulder, CO, on thermal properties of terpolymers.

- 40 -
A CADF.ME , NATIONAL LABORATORIES AND GOVERNMENT

V.D. Arp

Collaborative research with R.B. Owen, NASA-MSFC, Huntsville, AL, on optical measurements and zero-g heat transfer measurements.

Consultation with T. Cleghom, NASA-JSC, Houston, TX, on hydrogen-oxygen

mixing

.

Consultation with B. Hands, Oxford University, Oxford, England, on useful

forms of fluid state equations.

Consultation with P. Kittel, NASA-ARC, Moffet Field, CA, on helium pumps

for space flight.

S.D. Bischke

Consultation with P. Glugla, Dept, of Chemical Engineering, University of

Colorado, Boulder, CO, on amino acid transport through ionomeric

membranes

.

J.A. Brennan

Consultation with E. Jenkins, California State Dept, of Agriculture,

Division of Measurement Standards, Sacramento, CA, on flow measurement

standards

.

Consultation with F. Kinghorn, National Engineering Laboratory, East

Kilbride, Scotland, on flow measurement.

D . E

.

Daney

Cooperative research with L.P. Purtell, Chemical Process Metrology

Division, NBS/CCE, Gaithersburg, MD, on modeling of fluid tangential

vortex motion in cylindrical tanks near zero-g for mechanically induced

fluid transfer between tanks.

P.J. Giarratano

Collaborative research with R.B. Owen, NASA-MSFC, Huntsville, AL, on transient heat transfer experiments near zero-g.

Collaborative research with A. Cezairliyan and A. Miiller, Thermophysics

Division , NBS/CCE, Gaithersburg, MD, on thermophysical measurements in

reduced gravity.

D.M. Ginley

Collaborative research with S.J. Khang, Dept, of Chemical Engineering,

University of Cincinnati, Cincinnati, OH, on bench-scale mixing tests.

- 41 -
Collaborative research with D. Friday, Statistical Engineering Division,

NBS/CAM, Boulder, CO, on analysis of mixing data.

G . J . Hanna

Cooperative research with A.L. Bunge, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on distribution

coefficient enhancement in thin oil films in emulsions and on amine

neutralization using emulsion liquid membranes.

Consultation with R.H. Guy, School of Pharmacy, University of California,

San Francisco, CA, on the rotating diffusion cell and interfacial

kinetics measurement.

Consultation with P.R. Danesi, Argonne National Laboratory, Argonne , IL, on interfacial kinetics measurement.

Consultation with M. Kreevoy, Dept, of Chemistry, University of

Minnesota, Minneapolis -St . Paul, MN, on interfacial kinetics models and

measurements

.

Consultation with R. Bartsch, Dept, of Chemistry, University of Texas,

Austin, TX, on interfacial kinetics measurements in ionizable crown ether

systems

.

Consultation with J. Lamb, Dept, of Chemical Engineering, Brigham Young

University, Provo, UT, on interfacial kinetics in crown ether systems.

K.M. Larson

Cooperative research with A.L. Bunge, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on amine

neutralization and copper extraction using emulsion liquid membranes.

Consultation with J. Draxler, Technical University of Graz, Graz,

Austria, on particle-size measurement of emulsion liquid membranes.

Consultation with T.A. Hatton, Dept, of Chemical Engineering,

Massachusetts Institute of Technology, Cambridge, MA, on separation of

proteins

.

Consultation with A. Carlson, Dept, of Chemical Engineering, Penn State

University, University Park, PA, on aqueous two-phase extraction of

proteins

.

- 42 -
B. Louie

Cooperative research with T. Cleghom, NASA- JSC, Houston, TX, on cryogen

storage and transfer.

Collaborative research with T. Lenz , Dept, of Agricultural and

Chemical Engineering, Colorado State University, Fort Collins, CO, on cryogenic propellant scavenging.

D . B

.

Mann

Consultation with F.C. Kinghorn and W.C. Pursley, National Engineering

Laboratory, East Kilbride, Scotland, on orifice meter research.

R.D. Noble

Cooperative research with A.L. Bunge, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on mathematical

modeling and experiments for emulsion liquid membrane separations.

Cooperative research with C.A. Koval, Dept, of Chemistry, University of

Colorado, Boulder, CO, on experiments related to facilitated transport

of gases across liquid films.

Cooperative research with T.A. Hatton, Dept, of Chemical Engineering,

Massachusetts Institute of Technology, Cambridge, MA, on modeling of

separations in chemically reactive systems.

Cooperative research with P. Danesi, Argonne National Laboratory,

Argonne , IL, on modeling of facilitated transport in hollow fiber

membranes

.

Consultation with ENEA Laboratories, Rome, Italy, on setting up a collaborative research program in gas separations and enzyme reactors.

R.A. Perkins

Cooperative research with A.J. Kidnay, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on titration

and flow calorimetry.

Cooperative research with B.E. Dale, Dept, of Agricultural and Chemical

Engineering, Colorado State University, Ft. Collins, CO, on thermodynamics of protein denaturation.

Cooperative research with S. Selim, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on diffusion of

macromolecules

.

- 43 -
L.A. Powers

Collaborative research with D. Nilsen, U.S. Bureau of Mines, Albany

Research Center, Albany, OR, on solvent extraction modeling.

Collaborative research with M. Bier, Center for Separation Science, Univ.

of Arizona, Tucson, AZ , on supercritical chromatography in space.

D.L. Reed

Cooperative research with A.L. Bunge, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on mathematical

modeling and experiments in emulsion liquid membranes.

Cooperative research with C.A. Koval, Department of Chemistry, University

of Colorado, Boulder, CO, on experiments related to facilitated transport

of gases through liquid films.

Consultation with Jin, M.F.

,

Dalian Institute of Chemical Physics,

Dalian, China, on organic acid and metal extraction using emulsion

liquid membranes.

S.K. Sikdar

Collaborative research with M. Bier, Center for Separation Science,

University of Arizona, Tucson, AZ, on separation of organic and

biomaterials in space.

Collaborative research with A.D. Randolph, Dept, of Chemical Engineering,

University of Arizona, Tucson, AZ, on crystallization of organic and

biochemicals in space.

Collaborative research with B. Dale, Dept, of Agricultural and Chemical

Engineering, Colorado State University, Fort Collins, CO, on denaturation

of proteins.

Collaborative research with S. Selim, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on the

measurement of diffusivities of proteins and chemicals.

Collaborative research with P. Glugla, Dept, of Chemical Engineering,

University of Colorado, Boulder, CO, on the transport of organic species

through ion-exchange membranes.

Consultation with C. McConica, Dept, of Agricultural and Chemical

Engineering, Colorado State University, Fort Collins, CO, on chemical

vapor deposition.

- 44 -
Collaborative research with H. Semerjian, Chemical Process Metrology

Division, NBS/CCE , Gaithersburg, MD, on the measurement of amino acids

using two-dimensional spectroscopy.

Consultation with T.K. Ghose, Distinguished Visiting Professor,

University of Delaware, Newark, DE, on biochemical engineering problems.

Consultation with D. Kampala, Dept, of Chemical Engineering, University

of Colorado, Boulder, CO, on fermentation reactor modeling.

W.G. Steward

Consultation with A. Rodriquez at Kennedy-KSC, J.F. Kennedy Space

Center, FL, on orifice flowmeter operation for hydrogen flare system.

Consultation with Y.S. Ng at NASA-ARC, Moffet Field, CA, on cryogenic

system cooldown and centrifugal pump characteristics.

Consultation with F. Edeskuty, Los Alamos National Laboratory, Los

Alamos, NM, on cryogenic system flow stability and cooldown.

C.F. Sindt

Cooperative research with J.R. Whetstone, Chemical Process Metrology

Division, NBS/CCE, Gaithersburg, MD, on the acquisition and analysis of

orifice meter data for natural gas in the Natural Gas Pipeline of America

Company facility in Joliet, IL.

R . 0 . Voth

Consultation with R.S. Carter, NBS/CRR, Gaithersburg, MD, on helium

refrigerator capacity for the cold neutron program.

J.D. Way

Cooperative research with C.A. Koval, Dept, of Chemistry, University of

Colorado, Boulder, CO, on facilitated transport of carbon monoxide.

Cooperative research with D. Nelson, Pacific Northwest Laboratories,

Richland, WA, on complexation-based separation processes.

Cooperative research with C. Fabiani, ENEA Laboratories, Rome, Italy, on membrane technology.

Cooperative research with P. Glugla, Dept, of Chemical Engineering,

University of Colorado, Boulder, CO, on facilitated transport using ion

exchange membranes.

- 45 -
M.J. Hiza

Consultation with E.D. Sloan, Dept, of Chemical Engineering and Petroleum

Refining, Colorado School of Mines, Golden, CO, on importance of

interpersonal relations and communication in an R&D organization.

Consultation with T.H.K. Frederking, Dept, of Chemical, Nuclear and

Thermal Engineering, University of California, Los Angeles, CA, on AIChE

Committee 13h work.

Consultation with A.M. Szafranski, Instytut Chemii Przemyslowei , Warsaw,

Poland, on CODATA Task Group activities- -data compilations for the

chemical industry.

Consultation with A.S. Myers, Dept, of Chemical Engineering, University

of Pennsylvania, Philadelphia, PA, on adsorption research.

Consultation with F. Howard, NASA-KSC, J.F. Kennedy Space Center, FL, on refrigeration/liquefaction, and phase equilibria thermodynamics.

Consultation with R.W. Fast, Fermilab, Batavia, IL, on Cryogenic

Engineering Conference programs and a variety of CEC Board matters.

Consultation with B. LeNeindre, Laboratoire des Interactions Moleculaires

et des Hautes Pressions, Universite Paris Nord-CNRS, Villetaneuse

,

France, on CODATA Task Group activities related to data projects

important to the chemical industry.

Consultation with R.P. Dariner, Dept, of Chemical Engineering,

Pennsylvania State University, University Park, PA, on CODATA Task Group

activities for 5 85-' 86 related to data base projects.

Consultation with J.R. Whetstone, Chemical Process Metrology Division,

NBS/CCE, Gaithersburg, MD, on calculation of natural gas properties

required for gas mixture orifice metering.

Consultation with H.G. Semerjian, Chemical Process Metrology Division,

NBS/CCE, Gaithersburg, MD, on optical techniques for analysis of

biomolecules in solution.

Consultation with G. Mattingly, Chemical Process Metrology Division,

NBS/CCE, Gaithersburg, MD, on experimental measurement needs for fluid

management in microgravity environments

.

Consultation with H.V. Kehiaian, Institute de Topologie et de Dynamique

des Systemes, Universite Paris VII-CNRS, Paris, France, on technical

programs and session chairpersons for three consecutive international

conferences on phase equilibria and related properties.

- 46 -
Consultation with C. Young, Dept, of Physical Chemistry, University of

Melbourne, Parkville, Australia, on critical evaluation of phase

equilibria data for the IUPAC Solubility Data Series.

Consultation with G. Hefter, School of Mathematical and Physical

Sciences, Murdoch University, Murdoch, Australia, on collaboration in

critical evaluation of phase equilibria data for the IUPAC Solubility

Data Series.

T . J

.

Bruno

Consultation with L. Dickens, Denver Regional Council of Governments,

Denver, CO, on statistical analysis.

Consultation with D.E. Mart ire, Dept, of Chemistry, Georgetown

University, Washington, DC, on supercritical fluid chromatography.

D.E. Diller

Cooperative research with L. Van Poolen, Engineering Department, Calvin

College, Grand Rapids, MI, and F. Santos, Instituto Superior Tecnico,

Lisbon, Portugal, on measurements of viscosity of compressed gaseous and

liquid mixtures.

J.F. Ely

Cooperative research with T. Leland, Dept, of Chemical Engineering, Rice

University, Houston, TX, on hard sphere expansion theory for polar and

nonpolar fluid mixtures.

Cooperative research with A. Mansoori, Dept, of Chemical Engineering,

University of Illinois, Chicago, IL, on local composition models for

fluid thermodynamic behavior.

Cooperative research with K.R. Hall, Thermodynamics Research Center,

Texas A&M, College Station, TX. on new correlation of saturation

properties of pure fluids.

Consultation with E.D. Sloan, A.J. Kidnay, and V. Yesavage, Dept, of

Chemical Engineering and Petroleum Refining, Colorado School of Mines,

Golden, CO, on thermal conductivity of coal liquids.

Consultation with D.J. Evans, Research School of Chemistry, Australian

National University, Canberra, Australia, on computer simulation.

D.G. Friend

Consultation with H. Meyer, Dept, of Physics, Duke University, Durham,

NC, on thermal conductivity enhancement in mixtures.

- 47 -
H.J.M. Hanley

Cooperative research with A.J. Kidnay, Dept, of Chemical Engineering and

Petroleum Refining, Colorado School of Mines, Golden, CO, on properties

of coal liquids.

Consultation with K. Gubbins, School of Chemical Engineering, Cornell

University, Ithaca, NY, on transport properties of fluids.

Consultation with J. Rest in. Dept, of Mechanical Engineering, Brown

University, Providence, RI, on transport properties of fluids.

Cooperative research with S. Hess, Dept, of Physics, Technical University

of Berlin, West Germany, on structure of liquids.

Cooperative research with D. Evans, Research School of Chemistry,

Australian National University, Canberra, Australia, on non-Newtonian

phenomena

.

Consultation with W.A. Wakeham, Dept, of Chemical Engineering, Imperial

College, London, England, on transport phenomena.

Cooperative research with N.A. Clark, Dept, of Physics, University of

Colorado, Boulder, CO, on behavior of colloidal suspensions.

Cooperative research with R. Hayter, Oak Ridge National Laboratory, Oak

Ridge, TN, on neutron scattering from liquids.

W.M. Haynes

Cooperative research with J.C. Holste, Dept, of Chemical Engineering,

Texas A&M, College Station, TX, on thermophysical properties of fluids.

Collaborative research with R. Masui, National Research Laboratory of

Metrology, Ibaraki, Japan, on fluid dens ime try.

Consultation with D.W. Kupke , Dept, of Biochemistry, University of

Virginia, Charlottesville, VA, on magnetic suspension densimetry and

viscometry

.

Cooperative research with L. Van Poolen, Engineering Department, Calvin

College, Grand Rapids, MI, on coexistence densities and liquid volume

fractions

.

J. W. Magee

Cooperative research with R. Kobayashi, Dept, of Chemical Engineering,

Rice University, Houston, TX, on measurements of fluid mixture

properties

.

- 48 -
Consultation with J. Stecki, Polish Academy of Sciences, Warsaw, Poland,

on measurement of fluid heat capacities.

R.D. McCarty

Collaborative research with R.T. Jacobsen, Dept, of Mechanical

Engineering, University of Idaho, Moscow, ID, and Max Klein, Gas Research

Institute, Chicago, IL, on equation of state research.

Collaborative research with R.T. Jacobsen, Dept, of Mechanical

Engineering, University of Idaho, Moscow, ID, on ethylene properties.

Consultation with staff at the NASA-KCS, J.F. Kennedy Space Center, FL, on thermophysical properties of fluids.

Consultation with staff at the NASA- JSC, Houston, TX, on cryogenic fluid

handling on the shuttle.

N.A. Olien

Consultation with K.R. Hall, Thermodynamics Research Center, Texas A&M

University, College Station, TX, on properties of fluids and orifice

metering of natural gas.

Consultation with K.E. Starling, School of Chemical Engineering and

Material Science, Oklahoma University, Norman, OK, on equation of state.

Consultation with R. Wellek, National Science Foundation, Washington, DC, on thermophysical Properties.

J.C. Rainwater

Collaborative research with S. Hess, Dept, of Physics, Technical

University of Berlin, West Germany, on theory of non-Newtonian liquids.

Cooperative research with M.R. Moldover, and J.M.H. Levelt Sengers,

Thermophysics Division, NBS/CCE, Gaithersburg, MD, on thermodynamics of

near-critical binary mixtures.

Cooperative research with L. Biolsi, Dept, of Chemistry, University of

Missouri, Rolla, MO, on transport properties of fluids.

Cooperative research with L. Van Poolen, Engineering Dept., Calvin

College, Grand Rapids, MI, on liquid volume fractions of mixtures.

Consultation with J. Dufty, Dept, of Physics, University of Florida,

Gainesville, FL, on kinetic theory of liquids.

- 49 -
H.M. Roder

Consultation with W.A. Wakeham, Dept, of Chemical Engineering, Imperial

College, London, England, on thermal conductivity of fluids.

Consultation with M.S. Graboski and E.D. Sloan, Dept, of Chemical

Engineering and Petroleum Refining, Colorado School of Mines, Golden, CO, on thermal conductivity of fluids.

Cooperative research with C.A. Nieto de Castro, Dept, of Chemistry,

University of Lisbon, Portugal, on measurements of thermal conductivity.

Cooperative research with J. Vernart, Dept, of Mechanical

Engineering, University of New Brunswick, Canada, on thermal

conductivity

.

G.C. Straty

Cooperative research with A. Palavra, Interdisciplinary Institute,

Technical University of Lisbon, Portugal, on measurements of fluids

properties

.

B.A. Younglove

Consultation with E. Jenkins, Department of Measurement Standards,

Department of Agriculture, Sacramento, CA, on gas volumes for industrial

standards

.

J.W. Bransford

Consultation with D. Pippen, NASA- JSC, Houston, TX, and White Sands Test

Facility, White Sands, NM, on oxygen safety procedures.

Consultation with C. Byrant, NASA-KSC, FL, on oxygen safety procedures.

J.E. Callanan

Consultation with J. Boerio-Goates , Dept, of Chemistry, Brigham Young

University, Provo, UT, on calorimetric measurements.

Cooperative research with R.W. Carling, Sandia National Laboratory,

Livermore, CA, on solid fuels thermal measurements.

Consultation with D. Merrick, Coal Research Establishment, UK, on thermal

measurements of coal.

Consultation with A.J. Head, National Physical Laboratory, Teddington,

UK, on DSC methods and standards.

Collaborative research with R. Weir, Royal Military College, Kingston,

Ontario, Canada, on adiabatic calorimetry of solids.

- 50 -
Collaborative research with J. Crelling, Dept, of Geology, Southern

Illinois University, Carbondale, IL, on solid fuels thermal

measurements

.

Collaborative research with R.A. McDonald and R.D. Mountain,

Thermophysics Division, NBS/CCE, Gaithersburg, MD, on solid fuels

properties modeling.

Consultation with S.B. Barton, Royal Military College, Kingston, Canada

on measurements on coals.

Cooperative research with P. Roth, Sandia National Laboratory,

Albuquerque, NM, on differential scanning calorimetry.

Collaborative research with E.F. Westrum, Jr., Dept, of Chemistry,

University of Michigan, Ann Arbor, MI, on adiabatic calorimetry of

solids

.

J.G. Hust

Cooperative research with T. Ashworth and D. Smith, Dept, of Physics,

South Dakota School of Mines and Technology, Rapid City, SD, on thermal

insulations and geological materials research.

Consultation with F. Cabannes, CNRS , Orleans, France, on low conductivity

Standard Reference Materials research.

Consultation with T. Faison and B, Rennex, NBS/CBT, Gaithersburg, MD, on thermal insulation standard reference materials.

R. Radebaugh

Consultation with G. Walker, Dept, of Mechanical Engineering, Calgary

University, Calgary, Canada, on low temperature refrigeration.

Consultation with J. Barclay, Los Alamos National Laboratory,

Los Alamos, NM, on regenerator efficiency studies and magnetic

refrigeration

.

L.L. Sparks

Consultation with R. Barkley, Dept, of Chemistry, University of Colorado,

Boulder, CO, on thermal/mechanical properties of plastic foam

insulations

.

Consultation with J.B. Wachtman, Center for Ceramics Research, Rutgers

University, Piscataway, NJ, on thermal properties of ceramics.

Consultation with M. Rhodes, Dept, of Chemistry, University of

Massachusetts, Amherst, MA, on characterization of expanded plastics.

- 51 -
S.A. Sullivan

Cooperative research with N. Thedhani, Dept, of Mechanical Engineering,

California Institute of Technology, Pasadena, CA, on thermal properties

of alloys.

Collaborative research with F. Ramirez, Dept, of Chemical Engineering,

University of Colorado, Boulder, CO, on heat capacity of lignite.

Collaborative research with J. Crelling, Dept, of Geology, Southern

Illinois University, Carbondale, IL, on thermal property measurements of

coal

.

Collaborative research with D. Vecchia, NBS/CAM, Boulder, CO, on Standard

Reference Materials development.

CONFERENCES

10. CONFERENCES. WORKSHOPS. AND SEMINARS

A Symposium on Current Status and Future Trends in Thermophysical Property

Research at the AIChE Spring National Meeting in Houston, TX, Mar. 24-28, 1985 was organized and chaired by N.A. Olien and M. Klein (GRI)

.

Cosponsored with ASME and the International Thermophysics Congress, the Ninth

Symposium on Thermophysical Properties, held in Boulder, CO, Jun. 23-27, 1985.

Organized and directed by H.J.M. Hanley.

Three International Meetings on Phase Equilibrium and Related Property Data,

cosponsored by IUPAC, CODATA, and Universite Paris VII-CNRS, were held Sept.

5-13, 1985, at Universitaire de Paris, Paris, France. M.J. Hiza, Scientific

Program Committee member.

AIChE Meeting sessions on Membrane Separations and Approaches to Teaching New

Technologies, held Nov. 10-14, 1985, in Chicago, IL. R.D. Noble, session

chairman

.

International Symposium on Fluid Flow Measurement, to be held in Washington,

DC, Nov. 16-19, 1986 and jointly sponsored by AGA, API, ASME, GPA, GRI, and

NBS . N.A. Olien, member of organizing committee.

International Cryogenics Conference to be held Dec. 10-14, 1985, in Calcutta

India. S.K. Sikdar, Steering Committee member.

- 52 -
WORKSHOPS

Hosted a workshop entitled The Cutting Edge: Research and Applications in

Chemical Engineering and Chemistry. Attended by 30 area teachers on Jan. 22,

1985, at NBS, Boulder, CO. Sponsored by NBS and The Colorado Alliance for

Science. Organized by D.E. Diller, L.L. Sparks, and S.K. Sikdar.

Hosted a short course on Basic Chemical Instrumentation, Jun. 2-20, 1985, at

NBS, Boulder, CO. Course was attended by 35 NBS scientists, and students from

the University of Colorado and the Colorado School of Mines.

Organized and taught by T.J. Bruno.

Hosted a NASA sponsored workshop on Helium Transfer in Space, Aug. 20-21,

1985, at Boulder, CO. Attended by participants from government, universities,

and industry from throughout the world. Organized by D.E. Daney and co- directed by V.D. Arp.

Participated in a panel to review, evaluate, and rank research proposals to

the National Science Foundation in Washington, DC, Sept. 9-10, 1985. N.A.

Olien

.

Hosted an international workshop on Two-Phase Flow at NBS-Gaithersburg

,

sponsored by DOE-Office of Basic Energy Sciences, Sept. 22-27, 1985. Chaired

by J. Kestin and organized by G.E. Mattingly and N.A. Olien.

SEMINARS

Dr. Damon Seok, Department of Chemical Engineering, University of Cincinnati,

Cincinnati, OH: A New Approach to the Membrane Gas Separation, Nov. 13,

1984.

Dr. Delbert J. Eatough, Thermochemical Institute, Brigham Young University,

Provo, UT: Solution Calorimetry and its Applications to the Study of

Molecular Interactions in Model Coal Liquids, Nov. 15, 1984.

Professor William B. Krantz , Department of Chemical Engineering, University of

Colorado, Boulder, CO: Interfacial Structures Arising from Instabilities Due

to Very Large Concentration Gradients, Dec. 7, 1984.

Dr. Stanley Abramowitz, Chemical Thermodynamics Division, NBS/CCP,

Gaithersburg, MD : Programs in the NBS Biotechnology Program, Dec. 12, 1984.

Dr. Terry G. Lenz , Department of Agricultural and Chemical Engineering,

Colorado State University, Fort Collins, CO: Solar-Thermochemical Energy

Conversion Research at CSU, Jan. 10, 1985.

- 53 -
Dr. Mark Donahue, Department of Chemical Engineering, Johns Hopkins

University, Baltimore, MD : Thermodynamics of Heavy Hydrocarbons, Jan. 14,

1985.

Ms. Peggy Phillips, Professional Nutrition Services, NBS, Boulder, CO:

Everything You Wanted to Know About Vitamins, Jan. 25, 1985.

Dr. James E. Zimmerman, Electromagnetic Technology Division, NBS/CEEE,

Boulder, CO: Impressions of China, Feb. 1, 1985.

Mr. Paul Bergstrom, Atlantic Richfield Co., Denver, CO: Hazardous Waste, Feb.

15, 1985.

Dr. John W. Flock, Chemical Engineering Branch, General Electric R&D,

Schenectady, NY: Chemical Engineering Research at General Electric Corporate

R&D Center, Feb. 20, 1985.

Dr. Larry Belfiori, Colorado State University, Fort Collins, CO: Amorphism in

Semicrystalline Polymers via Cryogenic Pulverization, Feb. 21, 1985.

Dr. Richard A. Bartsch, Department of Chemistry, Texas Tech University,

Lubbock, TX: Coupled Metal Ion Transport Across Bulk Liquid and Emulsion

Membranes by Ionizable Crown Ethers, Mar. 15, 1985.

Professor Maurice Kreevoy, University of Minnesota, Minneapolis, MN:

Mechanism of Nitrate Removal from Water by Solid-supported Liquid Membranes,

Mar. 20, 1985.

Dr. John D. Lamb, Brigham Young University, Provo, UT: Cation Selectivity of

Macrocyclic Ligands in Homogeneous Solution and in Liquid Membranes, Mar. 22,

1985.

Dr. Dale Gillette, National Oceanic and Atmospheric Administration, Boulder,

CO: Wind Erosion, Mar. 29, 1985

Professor Donald L. Koch, Chemical Engineering Department, Massachusetts

Institute of Technology, Cambridge, MA: Dispersion in Porous Media, Apr. 10,

1985.

Professor T. Alan Hatton, Chemical Engineering Department, Massachusetts

Institute of Technology, Cambridge, MA: Biochemical Processing Using Reversed

Micelles, Apr. 15, 1985.

Dr. William J. Ward, General Electric R&D, Schenectady, NY: Rayleigh-Benard

Convection in Electrochemical Redox Cell, Apr. 22, 1985.

- 54 -
Mr. Donald Hearth, University of Colorado, Boulder, CO: Space Programs in the

U.S. - Past, Present, and Future, Apr. 26, 1985.

Dr. Carol McConica, Colorado State University, Fort Collins, CO: Integrated

Circuit Processing: A Chemical Engineer's Challenge, May 10, 1985.

Dr. John Wagner, Food, Protein Research and Development Center, Texas A&M,

College Station, TX: Overview of Engineering Research Programs on Replenishable Resources at Texas A&M University, Jun. 19, 1985.

Dr. Michael S. Graboski, Syngas Systems, Inc., Golden, CO: Thermal Conversion

of Biomass to Gaseous Fuels, Jun. 28, 1985.

Dr. Milan Bier, University of Arizona, Tucson, AZ : Electrophoresis in

Biotechnology, Jul . 12, 1985.

Mr. Bob Gates, Public Service Co. of Colorado, Denver, CO: Pollution Control

in Power Generation, Sept. 20, 1985.

Ms. Peggy Phillips, Professional Nutrition Services, Boulder, CO: Nutrition

for Optimizing Work Performance, Oct. 4, 1985.

Dr. Verle N. Schrodt, Monsanto Co., St. Louis, MO: Research Needs in

Separations for Bioprocesses, Oct. 18, 1985.

- 55 -
TECHNICAL ACTIVITIES

OF THE

THERMOPHYSICS DIVISION (774)

N.A. Olien, Chief

1. INTRODUCTION

The research of the Thermophysics Division focuses on the thermodynamic

and kinetic behavior of fluids and solids, with particular emphasis on properties and substances of current importance in chemical engineering.

In order to explore new phenomena, develop highly accurate measurement

techniques, provide state-of-the-art data and descriptive theories for broad

classes of substances, a three-pronged approach is used. The first prong

consists of developing and applying experimental techniques such as acoustical and optical radiation, laser light scattering, magnetic weighing,

and rapid measurement methods. The second involves theoretical methods such

as thermodynamic theories, molecular theories, microscopic aspects of

electrodynamics and hydrodynamics, and nonlinear mathematics. The third

prong is computer modeling of microscopic and bulk properties. The focus of

these efforts is on: phase- transition behavior; fluid-fluid and fluid-solid

interfaces; polydisperse and multiphase fluids; high- temperature solids and

liquids; ionic transport and kinetic phenomena such as nucleation. The

criteria for the selection of substances and phenomena to be researched are industrial utility, scientific impact, potential for wider applications, and

probability of success within given financial and time constraints. The

maximum benefits which can be accrued by carefully synthesizing theoretical

and experimental input are thoroughly considered in all projects. Modern

data processing and electronics, advanced measurement concepts, and new

mathematical methods for solving multivariable and nonlinear equations are fully exploited. Current programs include: state-of-the-art thermodynamic

properties of substances used in tertiary oil recovery, geothermal energy,

synthetic fuels, and supercritical extraction; interfacial wetting; modeling

of coal-like solids; polydisperse fluids; and critical-point and fluid-solid

phase transformations.

2. GOAL

The goal of the Division is to perform exploratory research on the

thermophysics of gases and condensed phases, for the purpose of establishing

state-of-the-art measurement procedures, fundamental concepts, basic

theories, and predictive models which advance the understanding and

applications of thermodynamic and transport properties in chemical

engineering

.

- 56 -
3. GROUP AND PROGRAM FUNCTIONS

Groups

o Equation of State- Johanna Levelt Sengers, Group Leader

This group performs experimental studies of PVT relationships in

fluids, phase equilibria and PVTx relationships in binary and multicomponent

fluid mixtures. State-of-the-art measurement techniques are being developed

for Burnett -isochoric PVT determinations, light scattering measurements near

phase boundaries, magnetic densimetry, PVTx measurements of multiphase

equilibria, and critical lines in mixtures. The group also develops

thermodynamic models of mixtures and pure fluids which are based on fundamental concepts such as scaling and universality, and which utilize the

latest advances in the renormalization group and corrections to scaling;

collaborations with members of the Statistical Physics Group exist to model

mixtures by means of perturbation theory and theories of polydisperse

systems

.

o Statistical Physics-John M. Kincaid, Group Leader

This Group conducts theoretical studies of gases and condensed matter

in both equilibrium and nonequilibrium states. The methods of statistical

mechanics and fluid mechanics are used to formulate theories of:

thermophysical properties of solids; transport phenomena; polydisperse

mixtures; ion motion in solutions, pores, and membranes; chemical reaction

kinetics; radiative cooling; fluctuation phenomena; and dynamic phase

transformations and interfaces. These studies make use of a wide range of

mathematical and computational techniques. Close ties are maintained with

the Equation of State Group and other technical programs in the Division

through collaborations, informal discussions, and seminars on topics of

mutual interest.

Programs

o Condensed Matter-Raymond D. Mountain, Technical Leader

The objectives of this program are to develop models of phase

transitions and of nucleation and growth in metastable fluids; to study

spectroscopic probes, such as collision-induced infrared absorption for

determining key molecular parameters which characterize bulk properties of

fluids; and to explore methods for modeling amorphous solids, such as coal.

- 57 -
o Dynamic Measurements -Ared Cezairliyan, Technical Leader

The purpose of this program is to develop dynamic (millisecond and

microsecond resolution) measurement techniques; perform measurements of

selected thermophysical properties of high melting point substances to

temperatures over the range 1500-10,000 K; develop high temperature Standard

Reference Materials; probe nonequilibrium phenomena such as superheating;

and investigate high temperature, and high temperature and high pressure

(GPa) regions of melting and polymorphic phase transitions. The unique

capabilities of this laboratory provide the means to obtain thermophysical

data in a temperature regime where conventional techniques fail to operate

because of the exposure of the specimen to high temperature for prolonged

periods and because of long equilibration times.

o Interfacial Phenomena-Michael R. Moldover, Technical Leader

The purpose of this program is to: (1) experimentally characterize the

occurrence, stability, thickness, and transport properties of intruding

wetting layers which often form when two fluid phases are in contact with a third phase; (2) check the validity of proposed theories for interfacial

wetting; (3) develop the spherical acoustic resonator as a state-of-the-art

measurement tool for equilibrium and transport properties of gases and

gaseous mixtures; and (4) apply the acoustic resonator to the measurement of

the universal gas constant, R, and the thermodynamic temperature of the

gallium point.

o Thermodynamic Modeling-Lester Haar, Technical Leader

The purpose of this program is to develop algorithms for correlating

and extending thermodynamic property values for widely used fluids such as ammonia, water and steam, and aqueous mixtures. The models incorporate

results of microscopic formulations for the Helmholtz free energy and use elaborate statistical methods to treat effects of, for example, nonrandom

errors in thermodynamic measurements.

4. SELECTED PROJECT SUMMARIES

Film Balance

G. Morrison, H.A. Davis, I.L. Pegg

During the past year, design and construction of the film balance was completed. The balance is composed of four parts. First is a water trough

- 58 -
for containing the films; it is constructed entirely of Teflon and rests on

a massive thermostatically controlled brass plate. Second is the sensor,

which is constructed from a silicon fiber strain gauge, and there are effectively no "moving parts" in the sensor. The third part is the stepper

motor mechanism for changing the surface area accessible to the film.

Finally, there is a personal computer which controls the stepper motor,

records the response on the strain gauge, and stores the data for future

use

.

The balance is presently being steam cleaned, a precaution necessary to assure minimal contamination of the films from the Teflon trough itself.

The instrument will be calibrated and measurements will be made to study

fluid-fluid phase behavior in binary monomolecular films.

Semi-Automated PVT Facility

D . Linsky

The pressure measurement capability has been expanded through the

acquisition of a commercial 18 MPa gas-lubricated piston gage. The gage has

been cross-calibrated with the 4 MPa piston gage and the existing Bourdon

gage, with the latter used in the absolute mode (reference to vacuum). A

large amount of software development has been done. BASIC programs for

running PVT experiments and for collection and reduction of data have been

written, with increased versatility and for different combinations of tasks.

Hardware and software development has begun for automated temperature

selection and control through the use of a programmable ratio transformer,

and for remote monitoring of experimental conditions via telephone lines to

distant terminals.

V-L-E FACILITIES

G. Morrison, K.A. Johnson, F. Guzman, H.A. Davis

There is a long term commitment to the development of a variable volume

V-L-E cell which does not use mercury and which has the option for sampling.

The past year has seen a major redesign of one portion of the cell to allow

the cylinder to be honed in the event of severe damage to the cylinder

walls. There has also been a small modification to the piston drive screw

to keep several closely spaced parts of the drive mechanism from pushing

against one another and binding. In addition to the aforementioned changes,

the stepper motor and motor driver were replaced and the computer software

driving the motor was altered to avoid losing pulse count and to switch off

- 59 -
the power to the motor when it was not being powered. At present, the cell can be used in a restricted mode. When a problem with the integrity of the

dynamic seal is solved, the cell will be put into full use and the sampling

valve will be tested.

During the next year, a methodical study of mixtures of n-alkanes with

average chain length of six carbons will be studied. The motivation of this

study is to test the model of polydisperse fluid mixtures and to examine how

a fluid "senses" its multicomponent nature.

Properties of Refrigerant Mixtures

G. Morrison, D. Didion*, P. Domanski*, M. McLinden*, R. Radermacher*

The major activity of the past year centered around producing a technical note to summarize the results of the previous three years' work on this project. That document is presently in a final draft form and is being

typed. In this document , we discuss the application of a modified CarnahanStarling equation of state to refrigerant mixtures. We also discuss

important phase behavior, such as phenomena induced by nearby critical

points and the prediction of the temperature and pressure dependence of

azeotropes; this discussion is carried out by using specific refrigerant

mixtures as examples. In addition, one section of this note covers the

generation of thermodynamic functions from equations of state and perfect

gas information, definitions of reference states, ideal mixtures, and the

connection between real mixtures and pure material reference conditions.

The last two sections of the note give data for pure refrigerants and some

of their mixtures, and a complete listing of the computer codes for

calculating the phase diagrams and thermodynamic properties of refrigerants.

The second activity connected with this project has been one of

technology transfer. Modeling refrigerant mixtures with a modified

Carnahan-Starling equation of state has been discussed in papers given at

ASHRAE (American Society of Heating, Refrigerating, and Air-conditioning

Engineers) meetings in Chicago (January, 1985) and Honolulu (June, 1985).

It was also discussed at a Workshop on the Application on Nonazeotropic

Refrigerant Mixtures sponsored by EPRI (Electric Power Research Institute)

and hosted by Hawaiian Electric.

*NBS Center for Building Technology (NBS Division 745)

- 60 -
Working Fluid Mixture for Binary Geothermal Power Cycle

P. Albright, J.S. Gallagher, J.M.H. Levelt Sengers,

D. Linsky, G. Morrison, M. Emeruwa

The experimental VLE and PVT work on a 90% -10% mixture of isobutane and

isopentane, a working fluid for the geothermal Heber plant is being

completed. A supercritical reference PV isotherm has been established by

means of six Burnett runs and measurements are then made along isochores

intersecting this isotherm. VLE measurements have been taken in the range

of 50-90 °C. The thermodynamic surface for this mixture is in a final round

of refinement, and estimates have been made of the effect of the most

prevalent impurity, n-butane. Two papers on this work were presented at the

Ninth Symposium on Thermophysical Properties at Boulder, June 85, and a M.Sc. thesis resulted from it. A new attempt is being made at a scaled

formulation of the region near the critical line.

Rayleigh Light Scattering from Near-Critical Fluid Mixtures

R . F . Chang

We have completed a systematic experimental investigation of the

critical dynamics of mixtures of carbon dioxide and ethane near the vaporliquid critical line. Measurements have been made of the decay rate of

critical fluctuations for three compositions of the mixtures as well as pure

carbon dioxide and ethane. The compositions of the mixtures are 0.054,

0.358, and 0.680 mole fraction of carbon dioxide with the last composition

being near-azeotropic. Our data indicate that the mixtures exhibit cross- over behavior from pure fluid-like to mixture-like as a critical point is

approached although there is only one dominant mode of fluctuations at all

times. Consequently, the order parameter also crosses over from density

(heat mode) to concentration (mutual diffusion mode) while this mode of

fluctuations is still governed by the mode coupling theory regardless of the

nature of the order parameter. The results of the investigation have been

presented in a paper entitled "Decay Rate of Critical Fluctuations in

Ethane+Carbon Dioxide Mixtures near the Critical Line Including the Critical

Azeotrope" at the Ninth Symposium on Thermophysical Properties (Boulder, CO,

June 24-27, 1985) and are to be published in the International Journal of

Thermophysics

.

- 61 -
Crossover

P.C. Albright

The. term "crossover" refers to the transition from classical to

nonclassical behavior that most systems make when they approach their

critical point. Since remnants of the critical behavior can often still be seen far from the critical point, an understanding of the crossover behavior

is important in the reliable formulation of thermodynamic surfaces, as well

as in the understanding of thermodynamic processes designed to operate near

the critical region.

In collaboration with J.V. Sengers and J. Chen of the University of

Maryland, we have developed a primitive implementation of the theoretical

crossover theory for the liquid-vapor critical point. The model seems to

already be superior to the most sophisticated techniques currently used for

describing the critical region. The basic theoretical notions were presented at the Ninth Symposium on Thermophysical Properties in Boulder,

June 1985, and are being published in the proceedings. Refinements of the

model are currently being tested. These refinements include considering the

lowest-order asymmetries known to be important in real fluids, and matching

the generic mean-field regime with an appropriate noncritical (e.g. virial)

equation of state.

A further extension of the above work is in the development of a crossover theory for fluid mixtures. The theoretical work has been

essentially completed; we will implement the theory when we have gained some more experience with the pure fluid case.

In collaboration with J. Nicoll, J.V. Sengers, and J. Chen, we are engaged in extending the earlier work to a crossover theory of the kdependent correlation function. This will constitute the Ph.D. thesis of

Mr. Chen. This collaboration has so far resulted in some modest improvement

of extant asymptotic theories.

Further theoretical work includes calculation of crossover equations of

state within the context of the renormalization group theory. Results from

these calculations have been published, or are currently in the review

process, and include new calculations of asymptotic amplitude ratios (both

leading and correction- to-scaling) , calculation and analysis of asymptotic

parametric equations of state, and an analysis of the region of validity of

the Wigner series.

- 62 -
(Dilute) Near-Critical Mixtures and Aqueous Electrolyte Solutions

R.F. Chang, C.M. Everhart, J.M.H. Levelt Sengers, G. Morrison, G. Nielson

Near-critical fluid mixtures, especially when they are dilute, display

large anomalies in thermodynamic behavior. An appreciation of these effects

is important to the understanding of impurity effects in custody transfer

and in working fluids for supercritical Rankine cycles, to the understanding

of supercritical solubility, and to the understanding of the very large

anomalies found in near-critical aqueous electrolyte solutions.

At the AIChE Symposium on Supercritical Fluids, San Francisco, November

1984, we presented a detailed explanation of the supercritical heat-ofmixing effects reported by Christensen et al. With K.S. Pitzer, we are working on describing the anomalous partial molar properties of near- critical aqueous electrolyte solutions. We reported this work at the

Houston AIChE meeting (March 85), and by a poster at the NBS Electrolyte

Workshop in June 85; we also submitted a paper for publication to Chemical

Engineering Communications.

One of us (G.N.) has developed a model for supercritical solubility

that maps the properties of the dilute solution onto those of the pure

solvent. Another (G.M.) has classified the supercritical solubility effects

in their dependence on number of components and number of phases present,

and corrected or explicated several ambiguous statements in the literature.

Our work was presented in papers at the Ninth Symposium on Thermophysical

Properties in Boulder, June 1985, and at the April 1985 ACS meeting at Miami

Beach

.

Dimensionless Formulation of Thermophysical Properties of H

^ O and D ^O

J.S. Gallagher, J.V. Sengers

The dimensionless forms of the Haar-Gallagher-Kell (HGK) formulation

for H^O and the Hill-McMillan formulation for along with scaling law

representations of these two substances for use in the critical region, have

been assembled onto a computer tape. This tape will be distributed by the

Office of Standard Reference Data as a "Standard Reference Database." These

programs will allow the user to interactively calculate thermodynamic and

transport properties of these two substances, using a system of units chosen

by the user and with a variety of property pairs as independent variables.

- 63 -
Droplet Growth In Mists

G. Morrison, J. Kincaid, R.F. Chang

We are planning to study the time development of the particle size

distribution of a mist formed from a multicomponent, initially binary,

liquid mixture. Since settling of the mist is a serious problem (for the

long-time behavior) that interests us, we anticipate that the experiment

will ultimately be carried out in a microgravity environment. This project

is being supported by NASA. Our motivation is to study the effect of the

multicomponent character of the mixture on the evolution of the droplet size

distribution, and the possibility of long-time quasi- equilibrium states. A

number of exploratory experiments will first be performed on earth. We are presently concerned with the method of generating the mist, its

characterization on earth, and the evaluation of suitable techniques for a microgravity experiment. We expect to generate the mist ultrasonically

using piezoelectric transducers. Detailed size distribution of the mist can

be obtained from laser Doppler velocimetry of the particles in free-fall.

To determine the potential of different measurement techniques for the

microgravity experiment, we will evaluate direct microscopic photography,

Brownian diffusion, and holography using systems of particles of known size

(and size distribution) suspended in a density matched medium.

Phase Behavior of Supercritical Polymeric Solutions

E.J. Clark, J.M.H: Levelt Sengers , P.H.E. Meijer*

Supercritical solvents have significant potential application in the

extraction and separation of organic materials which require high

temperatures for conventional processing methods, and yet are degraded by

the same elevated temperatures. Polymer processing is an example. A data

base of appropriate references in the field of polymers and supercritical

extraction has been started. We propose to study the phase behavior of

polyethylene in supercritical solutions. From the very few studies that

have appeared in the open literature, it has been found that the phase

diagrams are fairly complicated, with liquid-liquid phase separation

occurring near the solvent's vapor pressure curve in the P-T plane. The

region of phase separation can be moved to lower temperatures by the use of

a second, supercritical solvent. Initial experiments will include the study

of polyethylene solubility and crystallization in supercritical one- component solvents by means of a simple visual cell. The location of phase

boundaries will be assessed by varying the temperature and/or pressure. A

- 64 -
theoretical effort to model these phase diagrams and predict the solubility

of polymers in supercritical fluids will be carried out in parallel to the

experimental studies.

Catholic University

Molecular Dynamics Studies of Fluid Mixtures

R.D. Mountain, G. Birnbaum (NBS Division 401)

The method of molecular dynamics simulation is being used to

investigate the dynamical processes involved in the phenomenon of collisioninduced absorption of far infrared radiation in rare gas mixtures. Our work

on Ar-Ne and Ar-Kr mixtures strongly suggests that intrinsic three-body

interactions are observed in this process. A simulation of the

parahydrogen-helium system has been made, as this is the simplest system for

which ab initio quantum mechanical calculations of the interactions and

induced moments can be made. The results of this study will be used to

guide the quantum mechanical calculations being made elsewhere.

Molecular Dynamics Study of a Model Reference System for a Biological Membrane

R.D. Mountain, R. Mazo (University of Oregon)

A set of molecular dynamics simulations were made, on a simple twocomponent mixture of strongly repelling disks, in order to provide a reference system for a lipid-protein membrane. Measurements of the lipidprotein interaction, using spin-resonance techniques, require a knowledge of

the fraction of lipid molecules which are "next to" one or more of the

protein molecules in the membrane. This is a manifestation of the threebody-correlation problem which is not amenable to analytical solution. The

simulation results provide a direct resolution of this question and will

provide the basis for refined interpretation of biophysical measurements.

Relative Stability of Dense Random Packings

R.D. Mountain, H.J. Raveche

An extensive molecular dynamics investigation has been made of the

relative stability of fee, hep, and random close packings for crystals

composed of particles interacting via the inverse- twelfth power of particle

separation. No significant difference in the P-T relation for systems of

576 and 4608 particles were found for the different structures. These

- 65 -
results will serve as a stringent test for statistical mechanical theories

of crystallization.

Thermal Properties of Solid Gas Hydrates

R.D. Mountain, R.A. MacDonald

This is a collaborative effort with Jane Callanan in Boulder (NBS/CCE,

Division 773) and M.L. Klein of the National Research Council of Canada. It

is partially supported by DOE. A new NBS CYBER 205 code has been written

and tested using the molecular model we developed last year. We are now in

a position to begin investigating the stability of these structures.

Kinetic Simulation of Aggregation of Particulates

R.D. Mountain, F.E. Sullivan (NBS Division 713),

G.W. Mulholland (NBS Division 753)

The kinetics of the growth of particulates undergoing Brownian motion

and aggregation is being studied by means of computer simulation using the

"Brownian dynamics" method. Results have been obtained for the free

molecular regime and for the continuum limit for the background gas. In the course of this work, a very efficient simulation code was developed. Copies

of this code have been provided to researchers at the University of Maryland

and at the Desert Research Institute, Reno, Nevada. Two research papers

have been written describing the results and the code used to obtain the

results

.

Thermal Properties of Coal

R.A. MacDonald, R.D. Mountain, J.E. Callanan (NBS Division 773)

The theoretical work on coal has taken two rather different approaches.

One, the kinetic model of Merrick, relates the heat capacity to the loss of

volatile matter from the coal. The other sets up a 'gel' model to represent

a porous, disordered structure, such as coal, and calculates the properties

of this structure.

We find that Merrick's model gives a satisfactory representation of the

heat capacity results for coal specimens sealed in various atmospheres (air,

nitrogen, carbon monoxide, argon, and helium). The model, as it stands,

cannot account for the behavior (mainly exothermic) observed on initial

heating of the specimens, nor can it explain the role played by the

atmosphere in these initial runs. We conclude that, while the initial run effects are not pertinent to realizing the true heat capacity of the coal,

- 66 -
they nevertheless contribute significantly to the heat balance of systems

utilizing raw coal and, for this reason, warrant further study. These

results were presented at the Ninth Symposium on Thermophysical Properties,

Boulder, June, 1985, and will be published in the International Journal of

Thermophysics. The experimental part of this work has been carried out by

J.E. Callanan and S.A. Sullivan of the Center's Chemical Engineering Science

Division

.

The 'gel' model has as its basis a hexagonal close packed lattice,

containing 1200 atom sites. The gel is generated by a random procedure of

bond selection, the disorder being represented by missing bonds and missing

atoms. We have used the equation-of -motion method to calculate the

frequency spectrum for several particle densities. We find that the

disorder has a marked effect on the frequency spectrum, shifting a large

number of modes from high to low frequencies. Also, when in-plane to outof -plane bond strengths are in the ratio 2:1, there is a further shift to

lower frequencies and the two-peaked spectrum expected for an anisotropic

structure develops. We conclude that the gel model provides a satisfactory

basis for development as a model of coal. This work was presented at the

Ninth Symposium on Thermophysical Properties, Boulder, June 1985, and has

been accepted for publication in the International Journal of Thermophysics.

Equilibrium Properties of Polydisperse Fluids

K. Johnson, D. Jonah, J. Kincaid, G. Morrison, D. Tsai

The objectives of this work are to investigate polydisperse models for

the thermodynamic properties of multicomponent fluids, and to develop

accurate methods for determining the properties of real polydisperse

systems, such as petroleum. Equations of state and phase equilibria play an essential role in the separation processes used by the chemical process

industry. This work will provide simple, accurate methods for measuring, as well as modeling, important characteristics of phase equilibria and thereby

provide industry with the means to substantially increase the efficiency of

separation processes.

We continue to elucidate the relationship between polydisperse systems

and systems with a finite number of components. An elegant functional

analysis of the critical conditions of model polydisperse fluids was published in the Journal of Chemical Physics. We showed that the criticalpoint conditions can be expressed in terms of two Fredholm determinants, the

calculus of which demonstrates that the critical conditions may be viewed as

a well-controlled limit of the corresponding finite -component conditions.

- 67 -
In a paper submitted to the AIChE Journal, we presented a novel

expression for the Gibbs free energy of a very dilute binary mixture, the

input to which depends primarily on measured thermodynamic properties of the

pure solvent. This has been successfully applied to the correlation (and

prediction) of data on gas solubilities in liquids, supercritical fluid

extraction, and vapor- liquid equilibria at ordinary temperatures and

pressures

.

Both of these topics were presented at the Ninth Symposium on Thermophysical Properties, Boulder, June 1985.

Inhomogeneous Reaction Kinetics

J.B. Hubbard, J. Mercer, F. Martinez

This project provides the essential theoretical modeling for chemical

reaction kinetics in situations where large concentration gradients exist.

Examples are pulse radiolysis, ultrasonic chemistry via acoustic cavitation,

and plasma recombination. While a detailed quantitative description of

these processes is far beyond our present capabilities or needs, it is

highly desirable to have a relatively simple phenomenological model of

considerable generality which allows thorough mathematical analysis. Our

approach to this problem is as follows: Imagine the sudden creation of a concentrated "pulse" of reactants in an infinite "condensed" medium, and the

subsequent competition between a variety of irreversible recombination

reactions and Fickian mass diffusion. How does the total number of

particles (free radicals for instance) of a given species at a given time

depend on the shape of the initial pulse, the diffusion coefficients, rate

constants, order of the reactions, and the dimensionality of space? In

particular, how does the survival fraction at infinite time depend on these

parameters?

We restricted ourselves to a single species with an initial Gaussian

profile, to reaction kinetics of second, third, and fourth order, and to

one, two, and three spatial dimensions. We then performed a thorough

numerical investigation of the solutions to these nonlinear partial

differential equations; in addition, we utilized and developed a variety of

analytic methods to obtain physical insight as well as approximate

solutions. These include rigorous upper and lower bounds on the survival

fraction via functional analysis, Pade' approximation techniques, and a "prescribed diffusion" or Gaussian approximation. Our analytical results

agree quite well with our numerical work, which requires large amounts of

computer time for accurate predictions.

- 68 -
As might be expected, homogeneous reaction kinetics are never attained,

even at infinite time; however, the "yield" or survival fraction can be

calculated very accurately from our low order polynomial fitting functions

of a single dimensionless parameter.

Theories of Solvated Ion Dynamics

J.B. Hubbard, P.G. Wolynes*

We have recently completed a 150-page monograph on the dynamical

behavior of solvated ions in polar fluids. This will appear as a chapter in

the book The Chemical Physics of Solvation , which is part of a series

devoted to modern developments in electrochemistry.

*University of Illinois

Hydrodynamics of Magnetic and Dielectric Colloidal Dispersions

J.B. Hubbard, P. Stiles*

A paper on this subject has been prepared for the Journal of Chemical

Physics. In it we develop a theory for the hydrodynamic behavior of

colloidal suspensions, the particles of which possess electric or magnetic

moments. Particular attention is given to the case where an external

electric or magnetic field acts on a system in which the polarization does

not relax instantaneously, so that reorientational Brownian motion is

coupled to both the field and to hydrodynamic degrees of freedom.

Magnetosonic and magnetoviscous effects are derived, with emphasis on anisotropy with respect to the external field.

*MacQuarrie University, Australia

Computer Simulations of Dipolar Molecules Near Neutral

and Charged Hard Walls and Simulations of Ionic Mobility in a Polar Fluid

J.B. Hubbard, J. Rasaiah, S. Lee

We are in the middle of a molecular dynamics simulation of a Stockmayer

fluid between two impenetrable plates which may be electrically neutral or charged. We are interested in obtaining the equilibrium wall -molecule

"density" distribution function, as well as the polarization profile. We

also plan to extract the single particle diffusion coefficient normal and

parallel to the walls.

- 69 -
We designed the ion mobility molecular dynamics simulation to test

current theories as well as provide valuable information on solvated ion

dynamics in bulk media. We are particularly interested in seeing how well

the statistically averaged time integral of the ion's velocity

autocorrelation function agrees with the averaged time integral of the force

autocorrelation function for a "fixed" or immobile ion. This is the

Brownian dynamics ansatz, which is strictly valid only for infinitely

massive ions, but which is a key assumption in all current theories of ion

motion in fluids.

Computer Simulations and Theory of Diffusion Controlled Reaction Kinetics

in the Presence of Density and Composition Fluctuations

J.B. Hubbard, J. Rasaiah, S. Lee, R. Rubin (NBS Division 440)

This project was conceived in order to investigate the importance of

fluctuations in diffusion controlled reactions. It has recently been

established that composition fluctuations can exert a profound influence on annihilation reactions of the class A+B inert. In this instance, with equal

numbers of the two species and an initial spatially uniform A-B

distribution, it can be shown that the concentration decays as t

(d<4) at long times, where d is the spatial dimension. This is in stark

contrast to the prediction of homogeneous reaction kinetics, which yields a

t law for the concentration decay. The reason for this breakdown is that

small concentration fluctuations, which are the inevitable consequence of

thermally driven molecular motions, become more significant as the reaction

progresses, and actually dominate the kinetics at long times. We are currently investigating other systems which might exhibit similar behavior

by means of a "lattice random walk/cellular automata simulations" of

diffusion and annihilation. We have already established that in the

reaction A+A-->inert, the long time behavior of the system is completely

independent of the initial configuration, which implies that future

simulations might be streamlined by selecting optimal conditions for

statistical processing.

Among the systems we plan to investigate (in 1-3 dimensions) is the

parallel reaction A+A-->inert/A+A*-->inert, where A* refers to a trapped or immobilized molecule, and for which the trapping event itself is modelled as

a stochastic process.

- 70 -
Conference on Electrolyte Solutions

J.B. Hubbard, J. Rasaiah

A conference on electrolyte solutions in science and engineering was held June 10-12, 1985, at NBS in Gaithersburg, MD. Approximately 50

participants and 12 speakers from five countries discussed topics ranging

from statistical mechanical theories of electrolyte solutions, to processes

at semiconductor electrodes, to recent advances in fuel cell technology. A

poster session was also provided to facilitate the rapid, informal exchange

of ideas. The casual atmosphere, combined with the rather diverse interests

of the attendees, provided an environment that encouraged many thoughtful

and lively discussions.

International Formulation of Thermophvsical Properties of Light and Heavy

Water and Steam

J.V. Sengers, J. Kestin

The International Association for the Properties of Steam (IAPS)

adopted the formulations of the thermodynamic properties of ^0 and D2° “

the Moscow meeting, September 1984 and authorized J.V. Sengers to prepare

the releases. These were written and circulated among all member countries

by the end of 1984. After receiving input from some of the members, these

releases were finalized. We wrote an article about these releases for the

Journal of Physical and Chemical Reference Data. During the past year a draft release was also prepared for the thermal conductivity and viscosity

of H^O. This release was adopted, subject to editorial changes, at the IAPS

Executive meeting, NBS, Gaithersburg, MD, September, 1985. At this

Executive meeting, J.V. Sengers was authorized to prepare, in collaboration

with W. Wagner (Bochum, W. Germany), a release on coexistence properties of

steam. With J. Nieuwoudt, an article was submitted to Physica on the

viscosity of mixtures of ^0 and Dg® 1

IUPAC Book on Ethylene

J.V. Sengers, R.D. McCarty (Division 773), J.M.H. Levelt Sengers,

R. Jacobsen*, H.J. White, Jr.**

IUPAC is planning to publish a book on the thermodynamic properties of

ethylene. It will be based on the work sponsored by the consortium

organized by the Office of Standard Reference Data (OSRD) in the 70' s. At a meeting held at the time of the Ninth Symposium on Thermophysical Properties

- 71 -
in Boulder, June 85, an agreement was reached on the content of the book,

and writers were appointed for the various chapters. The plan is to have a draft completed by the end of 1985.

* University of Idaho

**NBS Office of Standard Reference Data

Thermophysical Measurements in Microgravity Environment

A. Cezairliyan, A.P. Miiller, M.S. Horse

A system was constructed for the dynamic measurement of heat capacity

and electrical resistivity of high- temperature liquid metals above 2000 K in

a microgravity environment. This system is an extension of the unique

millisecond-resolution facility developed earlier in this laboratory for the

dynamic measurements of selected thermophysical properties of solids at high

temperatures. This new development permits extension of the accurate

measurements to temperatures above the melting point of the specimen and

possibly several thousand degrees into the liquid phase. As a part of the

initial phase of this program, modifications were made to the system and a new series of pulse experiments in a microgravity environment (KC-135

aircraft flights operated by NASA in Houston) were performed during May

1985. The objectives were to study the geometrical stability of the

specimen (liquid niobium rod) during rapid melting experiments, and obtain

data on mechanical vibrations which may be affecting the stability of molten

specimens. The experiments on board the KC-135 aircraft were conducted by

P. Giarratano of the Center for Chemical Engineering in Boulder. The

results of a total of 30 experiments indicated that the specimens retained

their geometry for a brief period after melting and confirmed the

reproducibility of the measurements. Also the accelerometer data suggest

that aircraft vibrations are transferred to the molten specimen affecting

its stability. Changes and refinements in the system are underway to

further improve operation of the system. Plans were also made for the

extension of this program to perform experiments aboard the Space Shuttle in

about 3 years

.

Microsecond-Resolution Thermophysical Measurements

A. Cezairliyan, J.L. McClure, M.S. Morse

Development of an ultra-fast technique for the measurement of thermal

properties (heat capacity, electrical resistivity, heat of fusion, etc.) of

very high temperature (2,000-10,000 K) materials is under way. This will

enable extension of the present capabilities to specimen heating rates about

1000 times greater than achieved before in our laboratory, and to

- 72 -
measurements on high temperature liquid conductors. During the present

year, development and testing of a new accurate technique for measuring

electrical quantities in capacitor discharge experiments has been completed.

As a result, we are able to measure high pulse currents (50 kA) and high

pulse voltage (20 kV) at one MHz rate with an uncertainty of less than 1%.

This complements the fast temperature measurement capability developed

earlier in our laboratory. During 1986, the system will be used to measure

heat of fusion of a refractory metal, such as niobium. This technique is

likely to provide heat of fusion data on refractory metals with an accuracy

never attained before.

Properties of Graphite

A. Cezairliyan, A.P. Miiller

In recent years, graphite has become one of the most important

refractory materials in the development of high- temperature technologies,

finding applications as a thermal protective material, as a component in

structural composites, etc. It also has the potential of becoming a reference material for thermal property measurements. As a result, there

has been increasing need for accurate data on various thermophysical

properties of graphite, particularly at temperatures above 2000 K, where

significant disagreements exist in the literature.

In our laboratory, two studies related to graphite are under way:

(1) measurements of the heat capacity and electrical resistivity above

1500 K, and (2) measurement of the triple point temperature.

(1) During FY 85, accurate measurements of the heat capacity and electrical

resistivity of POCO AXM-501 graphite were conducted in the temperature

range 1500-3000 K as part of the CODATA program on properties of hightemperature reference materials.

(2) Preliminary measurements of the triple point temperature of graphite

have been performed. The measurements were conducted with the specimen

in a pressurized gas environment at about 14 MPa. Temperature

measurements were made with a newly constructed pyrometer which

measures spectral radiance temperatures at six wavebands. The final

measurements will be made in 1986 after completion of the final testing

and calibration of the pyrometer. The estimated uncertainty of the

triple point temperature measurements is about 50 K. Data reported in

the literature range from 3900-5000 K.

- 73 -
Shear Viscosity

R. Berg, M.R. Moldover

A torsion oscillator has been developed to measure the viscosity of

fluids at moderate temperatures (-100 C to + 100 C) and pressures

(0-J.0 MPa) at very low frequencies (0.5 Hz) and very low shear rates (0.05 s ).

The oscillator will be used in a NASA sponsored project for testing the

theory of dynamic critical phenomena. This viscometer is now being used to

study microemulsions and alkali metal mixtures.

Optical Studies of Interfaces

R.F. Kayser, M.R. Moldover, J.W. Schmidt

We have used ellipsometry to measure the thickness of wetting layers of

SFg on a vertical, fused silica surface. The thickness decreases from 40 to

20 nm as the height of the measurement (above a liquid-vapor meniscus) is

increased from 1 to 4 mm. In equilibrium, the thickness of the wetting

layer is determined by the competition between gravitational forces tending

to thin the layer and the long-range part of the intermolecular force

between SF, and silica. Our data are consistent with the DzyaloshinskiiLif shitz-Pitaevskii theory of dispersion forces. We are now studying the

drastic changes in the thickness of wetting layers caused by temperature

gradients. Our measurement techniques are applicable to other transparent

fluids such as CO^, hydrocarbons, and brines which are encountered in

petroleum reservoirs.

The theory of universality of critical phenomena has been used to

relate the interfacial tension in the critical region of many fluids to any

of three other quantities: (1) the correlation length as measured by light

scattering, (2) the anomalous part of the equation of state, and (3) the

anomalous part of the heat capacity. The theoretically based relations for

correlating interfacial tension appear to be useful at liquid-vapor critical

points, consolute points of ordinary solutions, and consolute points of

polymer solutions. Experiments to further test this theory have recently

been completed in binary liquid mixtures near upper consolute points and

lower consolute points.

During the past year, this work has led to invitations to speak at two

Gordon conferences, a symposium of the Faraday Society, topical meetings at

College de France and Brookhaven National Laboratory, and several colloquia

at universities.

- 74 -
Spherical Acoustic Resonators for Thermophysical Properties

and Standards Measurements

T.J. Edwards, M.R. Moldover, J.P.M. Trusler

New stainless steel and quartz acoustic transducers are being developed

for compatibility with the ultrapure gases required for metrology. The

transducers must tolerate a high bakeout temperature; thus, the transducer

technology will also be useful for the measurement of the thermophysical

properties of technologically important gases at high temperatures.

Two stainless steel spherical acoustic resonators and associated

apparatus have been assembled to measure the universal gas constant, R, with

the highest possible accuracy. An improvement by a factor of 5-10 over

previous measurements is anticipated. The volume of one resonator was calibrated to one part in one million. A gas handling system was assembled

and tested. Isotopically enriched argon-40 was obtained from the Mound

Laboratory

.

A definitive paper entitled "Spherical Acoustic Resonators: Theory and

Experiment" was accepted for publication in the Journal of the Acoustical

Society of America. Work will continue on this project in 1986.

Phase Equilibrium in the Critical Region of Mixtures

J.C. Rainwater (Division 773), M.R. Moldover

In previous work this project has developed and tested a physically

based thermodynamic model for correlating VLE data near the critical locus

of binary mixtures. This model has now been codified into a user friendly

package suitable for implementation on microcomputers. A recent application

of this package used the critical locus data obtained by J.L. Sengers for

isobutane -isopentane mixtures to predict the properties of the coexisting

phases from the critical locus to half the critical pressure. At these low

pressures, our model is in good agreement with VLE predicted by conventional

equation of state methods. Near the critical locus, where conventional

methods are poor, our model fit the data within their accuracy.

Thermodynamic Modeling of Binary Mixtures

L. Haar, J . S . Gallagher

In the first phase of this program, molecular modeling was applied to

the mixture of water with carbon dioxide. A thermodynamic representation

was obtained as an expansion about the molecular model, where the expansion

- 75 -
terms become negligibly small at high density and/or high temperature. A

considerable body of data exists for this mixture. Unfortunately many are clearly inconsistent. It is important to the success of the correlation to

ferret out the inconsistent data before global fits are made. To this end, we have employed the molecular model to obtain values of the molecular

parameter corresponding to each of the data sets and compared them with

literature values. We expect to complete a report containing the

thermodynamic surface for the mixture during 1986.

5. HONORS AND AWARDS

J.M.H. Levelt Sengers - Cooperative Interagency Committee on Women in

Science and Engineering (WISE) Award for 1985.

G. Morrison and J. Kincaid - NBS Center for Chemical Engineering Outstanding

Technical Achievement Award for their research

paper entitled Critical Point Measurements on Nearly Polvdisperse Fluids .

6. PUBLICATIONS

Buzbee, B.L. and Raveche, H.J., Report of the conference on the forefronts

of large-scale computational problems, Nat. Bur. Stand. (U.S.) NBSIR 84-

2968 (1984).

Tsai, D.H. and Trevino, S.F., 'Simulation of the initiation of detonation in an energetic molecular crystal, Phys . Rev. Letters, Vol. 81, No. 12, pp.

5636-5637 (Dec. 1984).

Cezairliyan, A. , Comment on "Measurement of thermodynamic parameters of

graphite by pulsed- laser melting and ion channeling," Phys. Rev. Letters,

Vol. 54, No. 11, p. 1208 (March 1985).

Cezairliyan, A. and Miiller, A.P., Heat capacity and electrical resistivity

of POCO AXM-5Q1 graphite in the range 1500-3000 K by a pulse heating

technique, Int . J. Thermophysics, Vol. 6, No. 3, pp. 285-300 (1985).

Cezairliyan, A. and Miiller, A.P., Thermophysical measurements on tungsten-3

(wt.%) rhenium alloy in the range 1500-3600 K by a pulse heating

technique, Int. J. Thermophysics, Vol. 6, No. 2, pp. 191-202 (1985).

Engel, B.N., Berg, R.F. and Ihas, G.G., Identification of zero-sound

attenuation satellites in 3He-B, Phys. Rev. Letters, Vol. 54, No. 12,

p. 1331 (1985).

- 76 -
Hubbard, J.B. and Stiles, P.J., On the energy loss of slow electrons due to

dielectric relaxation, Chem. Phys . Lett., Vol. 114, pp. 121-123 (1985).

Jonah, D . A . , Johnson, K.A., Kincaid, J.M. and Morrison, G. , The criticalpoint conditions for classical polydisperse fluids, J. Chem. Phys., Vol.

82, pp. 5178-5183 (1985).

Kayser, R.F., Schmidt, J.W. and Moldover, M.R., Wetting layers and

dispersion forces for a fluid in contact with a vertical wall, Phys. Rev.

Letters, Vol. 54, No. 7, pp. 707-710 (Feb. 1985).

Moldover, M.R., Interfacial tension near critical points and two-scalefactor universality, Phys. Rev. A, Vol. 31, No. 2, pp. 1022-1033

(Feb. 1985).

Mountain, R.D. and Brown, A.C., Molecular dynamics study of the liquid and

plastic phases of neopentane, J. Chem. Phys., Vol. 82, p. 4236 (1985).

Raveche, H.J. and Mountain, R.D., On the relative stability of dense

crystalline packings, Phys. Rev. B, Vol. 31, p. 7446 (1985).

Schmidt, J.W. and Moldover, M.R., The liquid-vapor interface of a binary

liquid mixture near the consolute point, J. Chem. Phys., Vol. 83, No. 4,

pp. 1829-1834 (Aug. 1985).

Sengers, J.M.H. Levelt, Straub, J., Watanabe, K. and Hill, P.G., Assessment

of critical parameter values for H-0 and D„0, J. Phys. Chem. Ref. Data,

Vol. 14, No. 1, pp. 193-207 (1985)7

L

Sengers, J.V., Sengers, J.M.H. Levelt and Kamgar-Parsi , B., A scaled

fundamental equation for the thermodynamic properties of steam near the

critical point, Strojnicky Casopis (J. Mech. Eng.), Czechoslovakia,

Vol. 36, No. 3, pp. 277-291 (1985).

Stiles, P.J. and Hubbard, J.B., Polarization diffusion and dielectric

friction in polar liquids II, Chem. Phys., Vol. 94, No. 7 (1985).

Albright, P.C., Sengers, J.V., Nicoll, J.F., and Ley-Koo, M. , A crossover

description for the thermodynamic properties of fluids in the critical

region, Int. J. Thermophysics (Submitted).

Berg, R.F. and Moiaover , h.R.

,

Viscosity measurements near critical points

using a novel torsion oscillator, Int. J. Thermophysics (Submitted).

- 77 -
Chang, R.F., Doiron, T. and Pegg, I.L., Decay rate of critical fluctuations

in ethane + carbon dioxide mixtures near the critical line including the

critical azeotrope, Int . J. Thermophysics (Submitted).

Diller, D.E., Gallagher, J.S., Morrison, G. , Sengers, J.M.H. Levelt,

Sengers , J.V., et al.. Thermophysical properties of working fluids for

binary geothermal cycles, Nat. Bur. Stand. (U.S.) NBSIR 85-3124

(May 1985).

Erpenbeck, J.J. and Kincaid, J.M., Calculation of the mutual diffusion

coefficient by equilibrium and nonequilibrium molecular dynamics, Proc

.

of the Ninth Symposium on Thermophysical Properties, Boulder, CO, June

1985, Int. J. Thermophysics (Submitted).

Gallagher, J.S., An equation of state for isobutane -isopentane mixtures with

corrections for impurities, Int. J. of Thermophysics (Submitted).

Gallagher, J.S. and Rumble, J.R., Documentation of NBS Standard Reference

Database 10 -- Thermophysical properties of water. Documentation sheet

distributed with database, Int. J. Thermophysics (Submitted).

Kayser, R.F., The effect of capillary waves on surface tension, J. Chem.

Phys . (Submitted)

.

Kestin, J., Imaishi, N. , Nott, S.H., Nieuwoudt, J.C. and Sengers, J.V.,

Viscosity of light and heavy water and their mixtures, Physica

(Submitted)

.

Kincaid, J.M. and Erpenbeck, J.J., The mutual diffusion constant of binary,

isotopic hard-sphere mixtures. Molecular dynamics calculations using the

Green-Kubo and steady-state methods, J. Chem. Phys. (Submitted).

Linsky, D. and Sengers, J.M.H. Levelt, PVT of 90% Isobutane -10% Isopentane - a geothermal working fluid, Proc. of Ninth Symp. on Thermophysical

Properties, Boulder, CO, June 1985, Int. J. Thermophysics (Submitted).

MacDonald, R.A. and Mountain, R.D., A "Gel" model for coal, Proc. of Ninth

Symp. on Thermophysical Properties, Boulder, CO, June 1985, Int. J. Thermophysics (Submitted).

MacDonald, R.A.

,

Callanan, J.E. and Sullivan, S.A., Effect of water loss on

the heat capacity of coal , High Temperatures - -High Pressures, Pion Press,

U.K. (Submitted).

MacDonald, R.A.

,

Shukla, R.C. and Kahaner, D.K., Thermodynamic properties of

BCC metals, High Temperatures- -High Pressures, Pion Press, UK.

(Submitted)

.

- 78 -
Moldover, M.R. , Opportunities for low gravity experiments in critical

phenomena, Proc . of NSF Workshop on Opportunities for Academic Research

in a Low Gravity Environment (Submitted)

.

Moldover, M.R., Mehl, J.B. and Greenspan, M. , Gas-filled spherical

resonators - theory and experiment, J. Acoust. Soc . of America

(Submitted)

.

Morrison, G., The importance of including the liquid phase in equations of

state for non-azeotropic refrigerant mixtures, ASHRAE Trans. (Submitted).

Morrison, G., Phase equilibrium in a hydrocarbon- like polydisperse fluid,

Chem. Eng. Communic. (Submitted).

Morrison, G. and McLinden, M.O., Two refrigerant mixtures and the hard

sphere fluid, ASHRAE Trans. (Submitted).

Morrison, G., Sengers, J.M.H. Levelt, Chang, R.F. and Christensen, J.J.,

Thermodynamic anomalies in supercritical fluid mixtures, Proc. Symp. on Supercritical Fluids, AIChE, San Francisco, CA (Nov. 1984) (In Press).

Nicoll, J.F. and Albright, P.C., Background fluctuations and Wegner

corrections, Phys . Rev. B (Submitted).

Sengers, J.M.H. Levelt, Chang, R.F. and Morrison, G., Nonclassical

description of (dilute) near-critical mixtures, Symposium Proc. in ACS

Series, ACS, April 1985 (Submitted).

Sengers, J.M.H. Levelt, Everhart, C.M., Morrison, G. and Pitzer, K.S.,

Thermodynamic anomalies in near-critical aqueous NaCl solutions, Chem.

Eng. Communic. (Submitted).

Sengers, J.M.H. Levelt, Morrison, G., Nielson, G., Chang, R.F. and Everhart,

C.M., Thermodynamic behavior of supercritical fluid mixtures, Proc. of

Ninth Symp. on Thermophysical Properties, Boulder, CO, June 1985, Int . J. Thermophysics (Submitted).

Sullivan, F. and Mountain, R.D., An efficient algorithm for the Brownian

dynamics simulation of aggregation, J. Compt. Phys. (In press).

Sullivan, F., Mountain, R.D. and O'Connell, J., Molecular dynamics on vector

computers, J. Compt. Phys. (In Press).

Trevino, S.F. and Tsai, D.H., Simulation of the intiation of detonation in an energetic molecular crystal: The overdriven case, Proc. of Eighth

Symp. (Int.) on Detonation, July 15-19, 1985, Albuquerque, NM

(Submitted)

.

- 79 -
Wheeler, J.C., Morrison, G. and Chang, R.F., A thermodynamic paradox

associated with nonchemical critical phenomena in mixtures, J. Chem.

Phys . (Submitted)

.

7. TALKS

Moldover, M.R.

,

Interfacial Tension of Fluids Near Critical Points and TwoScaled-Factor Universality, Institute for Physical Science and

Technology, University of Maryland, College Park, MD, Oct. 2, 1984.

Moldover, M.R., Optical Studies of Interface Phase Transitions, Physics

Department, Lehigh University, Bethlehem, PA, Oct. 11, 1984.

Chang, R.F., Applications of the Leung -Griffiths Model of Mixtures to Dilute

Solvents, NBS/CCE Workshop on Supercritical Solvents, Gaithersburg, MD,

Oct. 17, 1984.

Mountain, R.D.

,

Kinetics of Particulate Growth via Stochastic Computer

Simulation, Colloquium, Physics Department, University of Delaware,

Newark, DE, Oct. 24, 1984.

Mountain, R.D., A (Somewhat) New Look at Ultrasonic Scattering for NDE, NDE

Panel Presentation, NBS, Gaithersburg, MD, Oct. 31, 1984.

Sengers, J.M.H.L., Thermodynamic Anomalies in Supercritical Fluids Mixtures,

Symposium on Fundamental Thermodynamics of Supercritical Extraction,

AIChE Annual Meeting, San Francisco, CA, Nov. 26, 1984.

MacDonald, R.A.

,

Thermodynamic Properties of Cubic Metals, Physics

Colloquium, Catholic University, Washington, DC, Nov. 29, 1984.

Moldover, M.R.

,

Wetting, Multilayer Adsorption, and Interface Phase

Transitions, Chemistry Department Colloquium, University of California,

Los Angeles, CA, Dec. 3, 1984.

Moldover, M.R.

,

Wetting, Multilayer Adsorption, and Interface Phase

Transitions, Physics Department, University of California, Santa Barbara,

CA, Dec. 4, 1984.

Moldover, M.R.

,

Application of Spherical Acoustic Resonators to Measurement

of the Universal Gas Constant (R)

,

the Thermodynamic Temperature, and

Thermophysical Properties, Solid State Physics Seminar, Physics

Department, University of California, Los Angeles, CA, Dec. 5, 1984.

- 80 -
Kayser, R.F., Wetting Layers and Dispersion Forces Between SFg and Fused

Silica, 52nd Statistical Mechanics Meeting, Rutgers University, New

Brunswick, NJ, Dec. 14, 1984.

Kayser, R.F., Wetting Layers and Dispersion Forces Between SF^ and Fused

Silica, Thermophysics Division Colloquium, NBS\CCE, Gaithersburg, MD,

Dec. 20, 1984.

Kincaid, J.M., Phase Equilibrium in Continuous Mixtures, Chem. Eng. Dept.,

University of Virginia, Charlottesville, VA, Jan. 4, 1985.

Moldover, M.R., Wetting, Multilayer Adsorption and Interface Phase

Transitions, Physics Department, Pennsylvania State University,

University Park, PA, Jan. 22, 1985.

Albright, P.C., A Crossover Theory for Fluids, Washington Area Statistical

Physics Symposium, NBS , Gaithersburg, MD, Mar. 20, 1985.

Cezairliyan, A. , High-Speed Measurements of Thermophysical Properties at

Temperature Above 1500 K, Mechanical and Aerospace Engineering Seminar,

University of Delaware, Newark, DE, Mar. 22, 1985.

Sengers, J.M.H.L., Near-Critical Aqueous Salt Solutions, Symposium on Thermodynamic and Transport Properties, AIChE Spring Meeting, Houston,

TX, Mar. 25, 1985.

Moldover, M.R. (Coauthors: Kopelman, R.B. and Gammon, R.W.), Turbidity Very

Near the Critical Point of Methanol- Cyclohexane Mixtures, American

Physical Society, Baltimore, MD, Mar. 27, 1985.

Kayser, R.F., Wetting Layers and Dispersion Forces between SF^ and Fused

Silica, American Physical Society, Baltimore, MD, Mar. 28, 1985.

Kincaid, J.M., Phase Equilibrium in Continuous Mixtures, Chem. Eng. Dept.,

University of Massachusetts, Amherst, MA, Apr. 1, 1985.

MacDonald, R.A.

,

Thermodynamic Properties of Cubic Metals, Physics

Colloquium, Dickinson College, Carlisle, PA, Apr. 15, 1985.

Chang, R.F, Behavior of Dilute Mixtures near the Solvent's Critical Point,

APS Spring Meeting, Crystal City, VA, Apr. 24, 1985.

Mountain, R.D. (Coauthor: Mulholland, G.), Simulation of Soot Aggregation,

Center for Fire Research Seminar, NBS, Gaithersburg, MD, Apr. 29, 1985.

- 81 -
Sengers , Nonclassical Description of (Dilute) Near-Critical

Mixtures, Symposium on Equation of State - Theories and Applications, ACS

National Meeting, Miami Beach, FL, Apr. 30, 1985.

Moldover, M.R. , Wetting Layers and Wetting Phase Transition, Division of

Chemical Physics, Chemical Society of France, College de France, Paris,

France, May 29, 1985.

Sengers, J.M.H.L. (Coauthor: Everhart, C.), Near-Critical Aqueous Salt

Solutions, NBS/CCE Conference on Electrolyte Solutions in Science and

Engineering, NBS , Gaithersburg, MD, June 10, 1985.

Sengers, J.M.H.L., Supercritical Solubility, Dept, of Chemical Engineering,

University of Maryland, College Park, MD, June 16, 1985.

Kincaid, J.M. (Coauthor: Erpenbeck, J.J.), Calculation of the Mutual

Diffusion Coefficient by Equilibrium and Nonequilibrium Molecular

Dynamics, Ninth Symposium on Thermophysical Properties, University of

Colorado, Boulder, CO, June 24, 1985.

Kincaid, J.M. (Coauthor: Jonah, D.A.), Consideration of Some Dilute Solution

Phenomena Based on an Expression for the Gibbs Free Energy, Ninth

Symposium on Thermophysical Properties, University of Colorado, Boulder,

CO, June 24, 1985.

Chang, R.F.

,

Decay Rate of Critical Fluctuations in Ethane+Carbon Dioxide

Mixtures near the Critical Line Including the Critical Azeotrope, Ninth

Symposium on Thermophysical Properties, University of Colorado, Boulder,

CO, June 24, 1985.

Miiller, A.P., Thermal Expansion of Molybdenum in the Range 1500-2800K by a Transient Interferometric Technique, Ninth Symposium on Thermophysical

Properties, University of Colorado, Boulder, CO, June 24, 1985.

Cezairliyan, A., Normal Spectral Emissivity (in the Range 0.5-0.

9

Micrometer) of Niobium at Its Melting Point by a Pulse Heating Technique,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 24, 1985.

Sengers, J.M.H.L., Thermodynamic Behavior of Supercritical Fluid Mixtures,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 25, 1985.

- 82 -
Johnson, K . A . (Coauthor: Kincaid, J.M.). The Critical Temperature and

Density of Classical Polydisperse Fluids, Ninth Symposium on Thermophysical Properties, University of Colorado, Boulder, CO, June 25,

1985 .

Trusler, J.P., Extremely Accurate Measurement of the Speed of Sound in

Gases, Ninth Symposium on Thermophysical Properties, University of

Colorado, Boulder, CO, June 25, 1985.

Albright, P.C., A Crossover Description for the Thermodynamic Properties of

Fluids in the Critical Region, Ninth Symposium on Thermophysical

Properties, University of Colorado, Boulder, CO, June 27, 1985.

Gallagher, J.S, An Equation of State for Isobutane -Isopentane Mixtures with

Corrections for Impurities, Ninth Symposium on Thermophysical Properties,

University of Colorado, Boulder, CO, June 27, 1985.

Edwards, T.J., Heat Capacity of Carbon Dioxide Near the Critical Point,

Ninth Symposium on Thermophysical Properties, University of Colorado,

Boulder, CO, June 27, 1985.

MacDonald, R.A., A "Gel" Model for Coal, Gordon Conference on "Fuel

Science," New Hampton School, NH, July 1, 1985.

Moldover, M.R., Critical Phenomena in a Low-Gravity Environment, Division of

Policy Research and Analysis, National Science Foundation, Washington,

DC, July 10, 1985.

Pegg, I.L., Tricritical and Critical-End-Point Phenomena in Fluid Mixtures;

Phase behavior and Interfacial Tensions, Thermophysics Division

Colloquium, NBS/CCE, Gaithersburg, MD, July 25, 1985.

Albright, P.C., A Crossover Theory for Fluids, Gordon Conference on Physics

and Chemistry of Liquids, Holderness School, Plymouth, NH, Aug. 19, 1985.

Moldover, M.R., Optical Studies of Wetting Layers, Gordon Conference on Physics and Chemistry of Liquids, Holderness School, Plymouth, NH,

Aug. 22, 1985.

Moldover, M.R., Critical Phenomena in a Low-Gravity Environment, Gordon

Conference on Gravitational Effects in Materials Processing and Living

Systems, Colby-Sawyer College, NH, Aug. 23, 1985.

Guzman, F., Foam Stability and the Wetting-Nonwetting Phase Transition,

Thermophysics Division Colloquium, NBS/CCE, Gaithersburg, MD,

Sept. 6, 1985.

- 83 -
8. COMMITTEE MEMBERSHIPS AND EDITORSHIPS

COMMITTEE MEMBERSHIPS

P.C. Albright

NBS Child Care Center (Board of Directors)

A. Cezairliyan

International Organizing Committee of the European Thermophysical

Properties Conference (Member)

Thermophysical Properties Committee of the American Society of

Mechanical Engineers (Member)

International Thermophysics Congress (Chairman)

International Commission on Standardization of Thermophysical

Measurement Techniques (Member)

Thermophysical Properties Subcommittee of ASTM (Member)

E. Clark

ASTM Committee E44 on Solar Energy (Member)

ASTM Committee G3 on Durability of Nonmetallic Materials (Member)

L. Haar

International Association for Properties of Steam, Working Group I,

Equilibrium Properties (Member)

International Union of Pure and Applied Chemistry, Subcommittee on Thermodynamic Properties of Ammonia (Member)

NBS Library Committee (Member)

NBS Editorial Review Board (Member)

J . Hubbard

NBS Colloquia Committee (Member)

- 84 -
J. Kincaid

NBS Storeroom Committee for ADP (Chairman)

G. Morrison

Subcommittee on Estimation of Thermal Properties, Design Institute for

Physical Property Data of the AIChE (Member)

R.D. Mountain

NBS Library Subject Specialist Committee (Member)

NBS User Committee for Scientific Computing (Chairman)

J.M.H. Levelt Sengers

International Association for Properties of Steam, Working Group A,

Thermophysical Properties of Light and Heavy Water and of Aqueous

Systems (Chairman)

ASME Research Committee on the Properties of Steam (Member)

J.V. Sengers

ASME Research Committee K-7 on Thermophysical Properties (Member)

ASME Research Committee on the Properties of Steam (Member)

International Association for Properties of Steam, Working Group A,

Thermophysical Properties of Light and Heavy Water and of Aqueous

Systems (Member)

IUPAC Commission 1.2 on the Transport Properties of Fluids

(Corresponding Member)

EDITORSHIPS

A. Cezairliyan

Book, Compendium on Thermophysical Properties Measurement Methods,

Plenum (Editor)

Book, Specific Heat of Solids, McGraw-Hill (Editor)

- 85 -
International Journal of Thermophysics (Editor-in-Chief)

Journal of High Temperature Science (Member, Editorial Board)

Journal of High Temperature -High Pressures (Member, Editorial Board)

A . P . Miiller

Book, Specific Heat of Solids, McGraw-Hill (Coeditor)

J.V. Sengers

Physica A (Member, Editorial Board)

International Journal of Thermophysics (Member, Editorial Board)

9. PROFESSIONAL INTERACTIONS

INDUSTRY

P. Albright

Collaboration with J.F. Nicoll, Pangaro Inc., in the general area of

field- theoretical calculations in critical phenomena.

J.M.H. Levelt Sengers

Interactions with R. Basu, Allied Chemicals, on properties of near- critical solvents.

ACADEME. NATIONAL LABORATORIES AND GOVERNMENT

P. Albright

Collaboration with J.V. Sengers and J. Chen, University of Maryland, on several aspects of the crossover behavior of fluid systems.

A. Cezairliyan

Cooperative research with the Italian Metrology Institute, in the area

of melting point measurements.

- 86 -
Cooperative research with the Air Force Materials Laboratory, in

relation to thermal properties of aerospace materials.

Cooperation on thermal properties measurements with K. Maglic of Boris

Kidric Institute, Yugoslavia, in connection with U . S . -Yugoslavia

scientific cooperation.

Cooperative research with international laboratories, in connection

with the CODATA Program on reference materials for thermophysical

properties

.

Cooperative research with the IUPAC Commission, on high temperatures in

connection with secondary temperature standards.

Consultant, CINDAS/Purdue University.

L. Haar

Collaboration with G. Ernst, University of Karlsruhe, Germany, on the

ideal gas -calorimetric temperature scale.

Collaboration with W. Wagner, University of Bochum, Germany, on thermodynamic properties of fluids.

J . B . Hubbard

Collaboration with P.J. Stiles, Macquarie University, Australia, on hydrodynamics of magnetic and dielectric colloidal suspensions.

Collaboration with P.G. Wolynes, University of Illinois, on theories of

solvated ion dynamics.

Collaboration with J. Mercer, NBS, F. Martinez, University of Puerto

Rico, and R. Dorfman, University of Maryland, on inhomogeneous chemical

reaction kinetics.

Collaboration with J. Rasaiah and S.H. Lee, University of Maine, on diffusion-controlled reaction kinetics - theory and computer

simulations

.

J.M. Kincaid

Cooperative research with J. Erpenbeck at Los Alamos Scientific

Laboratory, on computer simulation of transport processes in fluids.

Cooperative research with G. Stell of SUNY (Stony Brook), E.G.D. Cohen

and M. Lopez de Haro of Rockefeller University, on kinetic theory.

- 87 -
Collaboration with J.K. Percus , Courant Institute, New York University,

on theories of interfaces.

R.A. MacDonald

Cooperative research with R.C. Shukla, Brock University,

St. Catherines, Canada, on thermophysical properties of bcc metals.

Collaboration with J.E. Callanan and S.A. Sullivan, NBS/CCE, Boulder, on heat capacity of coal.

M.R. Moldover

Collaboration with A. Voronel, University of Tel Aviv, Israel, on measurements of properties of alkali metal alloys (U.S. -Israel

Binational Science Foundation Agreement)

.

Collaboration with J. Mehl, University of Delaware, on acoustic

measurements in gases

.

Collaboration with R. Gammon, University of Maryland, on measurements

of transport properties near critical points.

G. Morrison

Collaboration with D. Didion, M. McLinden, and P. Domanski, Building

Equipment Division, NBS/CBT, on Refrigerant Mixture Properties and

Modeling

.

R.D. Mountain

Collaboration with P.K. Basu of the University of the District of

Columbia, on liquid state studies.

Collaboration with M. Klein, National Research Council of Canada, on

gas hydrate studies.

Collaboration with R. Mazo, University of Oregon, on tripletcorrelations in lipid membranes.

J.W. Schmidt

Collaboration with W.B. Daniels, University of Delaware, and

M. Nielsen, Denmark, on neutron scattering from solid deuterium.

- 88 -
J.M.H. Levelt Sengers

Collaboration with R.T. Jacobsen, University of Idaho, R.D. McCarty,

NBS/CCE, J.V. Sengers, University of Maryland, and W. Wakeham, Imperial

College, UK, on IUPAC book on ethylene.

Interactions with De Swaan Arons at Technical University of Delft, The

Netherlands, preparatory to applying for NATO grant for collaboration

on supercritical fluid mixtures.

Collaboration with K.S. Pitzer, University of California, Berkeley, on near-critical aqueous electrolyte solutions.

Interactions with R.W. Wood, University of Delaware and with

W. Marshall and J. Simonson at Oak Ridge National Laboratory, on hightemperature, high pressure aqueous solutions.

Interactions and planned collaboration with M. McHugh, Department of

Chemical Engineering, Johns Hopkins University, on polymeric solutions

at high pressures.

Lab visit to R. Kobayashi, Department of Chemical Engineering, Rice

University, March 1985.

10. CONFERENCES. WORKSHOPS. AND SEMINARS

CONFERENCES

Ninth Symposium on Thermophysical Properties, held June 1985 in Boulder, CO

A. Cezairliyan and J.V. Sengers Symposium Board Members.

Conference on Electrolyte Solutions in Science and Engineering, held June

10-12, 1985, at NBS, Gaithersburg, MD. Organized by J. Rasaiah and

J. Hubbard.

Gordon Conference on the Physics and Chemistry of Liquids, held Aug. 19-23,

1985, in Holderness School, Plymouth, NH. Chaired by J.M.H. Levelt Sengers

Working Group A, International Association for Properties of Steam, meeting

held Sept. 15-20, 1985, at NBS, Gaithersburg, MD. Chaired by J.M.H. Levelt

Sengers

.

European Conference on Thermophysical Properties, to be held in Sept. 1986

in Rome, Italy. A. Cezairliyan, international organizing committee member.

- 89 -
WORKSHOPS

Hosted workshop on Supercritical Solvents, held Oct. 17-18, 1985, at NBS

,

Gaithersburg, HD. Organized by J.M.H. Levelt Sengers

.

SEMINARS

R. Lipowsky, Cornell University, Baker Laboratory, Ithaca, NY: Critical

Effects of Wetting, Oct. 1, 1984.

J. Rainwater, Chemical Engineering Science Division, NBS/CCE, Boulder, CO:

Density Corrections to Transport Properties for Gases with Realistic

Potentials, Oct. 15, 1984.

D.M. Kroll, Institute for Solid State Research, Julich, W. Germany: Wetting

Transitions and Density Profiles at Solid-Gas Interfaces, Oct. 25, 1984.

C. G. de Kruif, Van't Hoff Laboratorium, Physiche en Colloid Chemie,

University of Utrecht, The Netherlands: Hard-Sphere Properties and

Crystalline Packing of Lyophyllic Silica Colloids, Oct. 29, 1984.

F. Stillinger, Bell Laboratories, Murray Hill, NJ : Inherent Structures and

Their Dynamics in Condensed Phases, Jan. 17, 1985.

F. Stillinger, Bell Laboratories, Murray Hill, NJ : The Stability of

Amorphous Packing, Jan. 18, 1985.

P. Nightingale, University of Rhode Island, Kingston, RI : Universal

Amplitudes in Finite - Size Scaling, Jan. 23, 1985.

M.L. de Haro, Polymers Department, National University of Mexico, Mexico

City, Mexico: Maximization of Entropy, Jan. 18, 1985.

M.L. de Haro, Polymers Department, National University of Mexico, Mexico

City, Mexico: Enskog Kinetic Theory, Jan. 30, 1985.

D. S. Cannell, Department of Physics, University of California, Santa

Barbara, CA: Fractal Properties of Colloidal Silica Aggregates, Apr. 3,

1985.

A. van Roggen, Vanroggen Associates, Kenneth Square, PA: Polymer Fiber

Fabrication in Industry, Apr. 10, 1985.

J. Gunton, Department of Physics, Temple University, Philadelphia, PA: First

Order Phase Transitions, Recent Theoretical Developments, May 9, 1985.

- 90 -
J.F. Joanny, College de France and Exxon Research and Engineering Co.,

Paris, France: Dynamics of Wetting, June 19, 1985.

M. Gitterman, Department of Physics, Bar-Ilan University, Ramat-Gan, Israel:

Transient Processes in Nucleation, July 31, 1985.

M.B. Ewing, Department of Chemistry, University College, London, UK: Gas

Imperfections, Aug. 13, 1985.

E.G.B. Lindeberg, Institute of Physical Chemistry, Technical University of

Norway, NTH Trondheim, Norway: Component Distribution in a Temperature

Gradient, Aug. 29, 1985.

J.C. Wheeler, Department of Chemistry, University of California, San Diego,

CA: Polymerization in Sulphur Solutions as a Multicritical Phenomenon, Sept.

13, 1985.

A. Robledo, Division De Estudios De Posgrado, Universidad Nacional Autonoma

De Mexico, National University of Mexico, Mexico City, Mexico: Relationships

Between Wetting Behavior and the Stability of Transient Foams and Emulsions,

Sept. 20, 1985.

J. Huang, Exxon Research Engineering Company, Annandale, NJ : Structure and

Properties of Dense Microemulsion Systems, Sept. 26, 1985.

- 91 -
TECHNICAL ACTIVITIES

OF THE

CHEMICAL PROCESS METROLOGY DIVISION (775)

J.J. Ulbrecht, Chief

1. INTRODUCTION

The end of FY85 marked the first year of the Division's reorganized

operation. Since October 1984, the four constituent groups of the Division

have been Fluid Flow, Multiphase Reacting Flows, High Temperature Reacting

Flows, and Process Sensing. The motivation for the restructuring of the

Division was thoroughly discussed in the 1984 Annual Report and need not be

repeated. The reprogramming of the Division, which followed, was the chief

characteristic of this past year.

When reviewing the performance of this past year, we need to examine

how new programs were phased- in and old programs strengthened, while

building on the existing skills and expertise of the four groups. We need

to assess the means and ways by which these changes were enacted and

implemented

.

Among the traditional tasks the Division is entrusted with is

instrument testing and calibration. A large number of industrial companies

and government agencies (both military and civilian) rely on this service.

The Division provides the custody, maintenance, and development of national

reference standards for fluid flow, air speed, volume, liquid density, and

humidity; and thus provides industry with traceability of their process

instrumentation to primary national standards. In view of the importance of

this task, the Division has undertaken, over a period of several years,

substantial upgrading and automation (as appropriate) of all its calibration

facilities which will result in substantial reduction of measurement

uncertainties

.

A number of ongoing research projects were identified as being of

fundamental importance to the pursuit of the Division's mission and these were earmarked for further support. While a list of these is given in the

main body of this report, several should be specifically noted. The

research on droplet break-up and on bubble shedding is progressing

satisfactorily and intermediate results were presented at national meetings.

The slurry flow loop, which has been perfected, is now being readied for

testing of slurry meters. The consortium research project, on the stability

of vortex flow downstream from a strut, has generated a wealth of new data

which aid in understanding the performance of vortex shedding flowmeters.

The application of the RF meter, to the measurement of solids concentration

- 92 -
in a paper pulp slurry, has reached the point of construction of a sturdy

full scale model to be tested in a paper mill. The project concerned with

the determination of discharge coefficients of orifice plates is nearing

completion, and the indications are that its results will be a landmark in

the history of flow metrology.

The high speed laser tomographic technique has been substantially

improved by being extended to six angular positions so that nonsymmetric

flow fields can now be studied. Important discoveries were made in the

study of spray combustion: significant coalescence takes place downstream in

the jet even under hot conditions. New data were obtained for the oxidation

rate in diffusion flames which allow for further quantification of the

kinetics of soot formation. Important advances were achieved by applying

the new optical probe to the investigation of solids mixing in gas fluidized

beds. These new data will serve to optimize catalyst regeneration rates.

In the field of process sensing, solid state sensors are emerging as contenders for a leading position. They are robust, stable, and reliable.

In following this trend, the search continued for the basic understanding of

how to apply iridium oxide to pH sensing. Humidity measurement in air and

other common gases has remained one of our major research thrusts. The work

on polymer membrane sensors has resulted in a patent being awarded to Dr. P. Huang

.

Even though the progress in the above mentioned projects is indicative

of the Division's effort, it does not give the full picture of the

progressive reprogramming of the research thrust.

The FY85 year marks our entry into the arena of biochemical

engineering. Next year we will report first results in developing the

technique based on laser induced fluorescence to the measurement of

intracellular kinetics. This noninvasive optical probe can provide a comprehensive signature of metabolic intermediates which is uniquely

indicative of the complex kinetics of biochemical reactions.

In cooperation with the University of Paris we have started work on a new electrochemical method, which will make it possible to measure diffusion

coefficients of oxygen in Theologically complex media (such as fermentation

broths or gels) and, in parallel, determine critical shear rates in

fermenters

.

A new project has been initiated in cooperation with the University of

Maryland, building on exploratory work recently completed here by a visiting

Texas A & M faculty member, on the use of ultrasound probes to measure

biomass concentration and cell viability.

- 93 -
A natural outgrowth from the soot formation project is a new project

concerned with the formation of noncarbonaceous particles in high

temperature reactions. This is an exciting field, impacting on the

microelectronics fabrication industry and the ceramics industry.

Over the years, we have developed a capability to measure the response

to radio frequency microwaves in heterogeneous materials. A new venture in

this field is the use of guided microwaves to measure the dielectric

constants in different coordinate directions and thus, in turn, the flow

anisotropy. Application of this principle is expected in the field of on- line control of flow oriented materials (such as liquid crystals or composites) and in rheological testing of nontransparent materials.

Our new surface analytical facility has finally come on stream. This

is a very powerful tool for studying surface structures and the nature of

surface bonding forces. We expect it to provide an invaluable service in

the investigation of the physical and chemical transformations taking place

on the interface of solid state sensors, and in the study of gas-solid

chemical reactions.

The progressive reprogramming of the Division's research thrusts would

not have been possible without active participation of Group Leaders and

senior research staff. It is mainly due to their imagination and creativity

that so much of the existing expertise could have been reoriented towards

the needs of the chemical and processing industries, and that new

applications of ongoing projects were identified.

To catalyze the process of reprogramming, the Division entertained a number of seminar speakers who came to talk about new chemical engineering

ventures. We had visiting faculty working with us over the summer period

who helped in getting us started in new areas and who taught us their

special skills. Two minicourses were organized during the past year: one on

the design of novel chemical reactors (with particular emphasis on chemical

vapor deposition) and the other on biochemical reactors. We have formalized

three agreements on expanded research cooperation, one with Lehigh

University in the area of biochemical engineering, another with the

University of Maryland on sensors, and a third with the University of

Tennessee on process measurement and control. These three agreements will

provide for the exchange of staff and for joint supervision of graduate

students working on projects of mutual interest.

An important tool in the reprogramming process was the sponsorship of

three workshops, attended by representatives from industry and academia. One

workshop dealt with process measurement of rheological parameters, and our new project in flow birefringence in opaque materials is in direct response

to the recommendations of this workshop.

- 94 -
Another workshop, jointly sponsored by the Center for Biotechnology at

Lehigh University, dealt with process measurements for biochemical reactors.

One of the conclusions of this workshop was that, in the absence of

inexpensive NMR process instrumentation, spectroscopic measurement

interfaced with advanced fiber optic probes is the most plausible process

instrumentation to monitor reaction kinetics along complex pathways. We

have incorporated these recommendations into our infrared and laser induced

fluorescence projects.

A third workshop, also cosponsored by Lehigh University, was concerned

with the scale translation and design of bioreactors. The participants

emphasized the need for fundamental design data and standardized measurement

techniques. We anticipate that the bulk of these recommendations will be

included in our long range plan. For the time being, we have started the

diffusion coefficient project.

The latter two workshops produced a fairly sharp picture of the current

needs of the biotechnology industry. We utilized the results of these

workshops when writing the FY87 Budget Initiative on "Bioprocess

Engineering .

We have continued cultivating the widest possible contacts with the

chemical and processing industries, either through trade organizations or through consortia of companies, to assure the societal relevance of our research work. A new industrial consortium was recently formed in support

of a research project on flow conditioning. Discussions with several

industrial companies to determine their interest in the measurement of

critical shear rates, and in the measurement of flow birefringence by

microwave frequencies, are in progress.

2 . GOAL

Within the framework of the Center for Chemical Engineering, the

Chemical Process Metrology Division's main concern is the science of

measurement in homogeneous and heterogeneous flow systems with and without

chemical reactions.

The goal of the Chemical Process Metrology Division is to provide the

chemical and related industries and other government agencies with the

measurement techniques, fundamental data, and the underlying scientific

principles pertinent to homogeneous and heterogeneous flows, with and

without chemical/biochemical reactions, at ambient and elevated

temperatures

.

- 95 -
The key element in the pursuit of this goal is the integration of

transport processes taking place in the spatial and temporal environments of

a sensor with the physical, chemical, and biological transformations taking

place at the interface of the sensing element.

It is further recognized that process measurement is the key component

of any process control loop, the proper function of which is essential to

the maintaining of the highest quality of manufactured goods and, in turn,

of the competitive edge of the U.S. industry on domestic as well as foreign

markets

.

Parallel with its research work, the Division maintains state-of-theart calibration services for flow, volume, density, humidity, and airspeed;

providing industry and other government agencies with traceability of their

instrumentation to national standards and thus assuring equity in domestic

and international trade.

3 . GROUP FUNCTIONS

o Fluid Flow Group - G.E. Mattingly, Group Leader

The mission of the Fluid Flow Group is to study the fundamentals of

fluid flow with the aim of advancing the state-of-the-art in flow metrology

and of applying these principles toward improving and expanding the flow

measurement capabilities for gases, liquids, and multiphase systems.

Research areas in the Group focus on fluid mechanical studies of fluid

flow phenomena in closed conduits as well as in less confined configurations

--such as exemplified by fluid mixing geometries pertinent to the chemical

process industries. Specific research programs have focused on flowmeter

installation effects, i.e., the influence of nonideal piping configurations

on downstream meters, on the generic performance of specific flowmetering

techniques such as vortex shedding, and on fluid handling and measurements

in unusual conditions such as in zero gravity environments or in complex

flows such as solid-liquid slurries.

The Fluid Flow Group has maintained responsibility for the fluid

flowrate and airspeed calibration services requested of the Center in FY85.

Additionally, the Group has maintained the central responsibility for the

calibration-upgrade activities being carried out for all of the calibration

services offered within the Center. These upgrade activities will describe,

quantify, and in the coming year report the levels of uncertainty for our measurement procedures that constitute our calibration services.

- 96 -
Significant among the Group's activities in the past year is the topic

of flow measurement assurance and strengthening the "links" in appropriate

traceability chains. A number of critical "in-situ" calibrations were

carried out to prove a number of diverse flowmeter installations for U.S.

industries, especially the nuclear industry. Also, a number of projects

have been initiated to conduct interlaboratory or round-robin flowmeter

testing programs, to assess systematic errors that may exist between or among flow measurement laboratories.

o Multiphase Reacting Flows Group - G. Kulin, Acting Group Leader

The mission of the Multiphase Reacting Flows Group is to conduct

research on multiphase flows at ambient and near-ambient temperatures with

and without chemical reactions. The ultimate purpose of this activity is to

(1) provide fundamental data, (2) develop improved measurement techniques,

including on-line rheometric methods, and (3) develop physical and

mathematical models for improved understanding and control of physical and

chemical processes in low temperature reactors, particularly biochemical,

slurry, and polymerization reactors. Examples of current research include

investigations of (1) droplet breakup in mixer-blade flowfields, (2) bubble

generation and behavior near mixer blades, and (3) initiation of a study of

liquid fluidized beds, which represents an extension and redirection of

Group interest in hydraulic transport of solids. Further redirection of the

program to accommodate new aspects of the Group's mission is evidenced in

recently started projects on electrochemical methods of shear stress and

diffusion measurement, and on microwave birefringence techniques for

determining flow- induced anisotropy in polymers.

o High Temperature Reacting Flows Group - H.G. Semerjian, Group Leader

The High Temperature Reacting Flows Group conducts fundamental research

on chemically reacting multiphase flow systems, especially those involving

dispersed particles either formed during the process (e.g., soot formation

during combustion), or entrained into the flow stream (e.g., fixed or fluidized beds, sprays, etc.), and on development of advanced measurement

techniques applicable to chemical reactors. Primary focus of the Group's

activities has been the development of nonintrusive measurement techniques

applicable to high temperature (and pressure) reactors. Recent efforts have

included studies on laser tomography for temperature and composition

measurements, laser scattering and extinction for particle characterization

in sooting flames or sprays, laser induced fluorescence for temperature

measurements in flames, emission spectroscopy for temperature measurements

in industrial reactors, and fiber optic probing techniques in fluidized

beds. Some of these techniques are being extended into new

- 97 -
areas of research. For example, the laser scattering and extinction

techniques will be applied to studies of particle formation processes

relevant to CVD systems, as well as to ceramics and powder metallurgy; the

laser induced fluorescence techniques are being applied to biochemical

systems , where they are expected to provide a powerful tool for measurement

of substrate and product concentrations, as well as the metabolic activity

level and intracellular kinetics. New laboratory facilities are also being

established (e.g. the new plug flow reactor) which will enable study of

transport and reaction rates in multiphase flow systems, relevant to

pyrolysis and oxidation of heavy fuels, slurries, process biproducts, and

hazardous wastes.

o Process Sensing Group - S. Hasegawa, Acting Group Leader

J.R. Whetstone, Group Leader

The Process Sensing Group performs research directed toward the development of new sensing and measurement techniques. We have the capability

to make a broad spectrum of sensing materials in the form of thin films,

using sputtering. Surface adsorption/desorption phenomena may be

characterized using the new surface analytical facility which was commissioned in June of 1985. Initial efforts here have dealt with the

thermal desorption and surface bonding characteristics of tin oxide, which

is a semiconducting oxide having demonstrated affinities for absorption of

water vapor and other gaseous species. Additionally, iridium oxide films

which hold promise as solid state pH sensors have been made. Preliminary

studies of the relationship between fabrication parameters and structure of

the films as well as electrical properties have been made. This work will be

followed by surface characterization to determine the mechanism of the

film's pH response. The sputtering facility has been used to develop thin

film thermocouples on metals. An extension of this work includes the study

of application of thin film thermocouples to ceramic and polymeric

materials

.

The Process Sensing Group bears the responsibility for NBS calibration

services for volumetric, density and humidity measurement devices.

Preparations have been made to recompare the response of the two-pressure

humidity generator to the gravimetric hygrometer, perform surveillance

checks on the volumetric working standards using gravimetric techniques, and

to develop a set of fluids to be disseminated as standard density reference

materials

.

- 98 -
4. SELECTED PROJECT SUMMARIES

CALIBRATION

Calibration Services

G.E. Mattingly, S. Hasegawa

In the past year the CCE calibration services have satisfied industry

and government requests for a number of metrological tasks. Additionally,

the facilities for performing these services are being upgraded so that the

levels of measurement uncertainty are being evaluated. Where pertinent,

improvements are being made; where appropriate, automation of procedures is

being implemented. In the specific calibration areas, activities are summarized as follows:

Service

Flowrate

Volumetric Containers

Aerodynamic Devices

Reference Standard Hydrometers

Humidity

Number of Items Calibrated

33 (26 for industry)

53 (51 for industry)

84 (42 for industry)

60 (60 for industry)

25 (21 for industry)

Besides these services, an increasing number of "in-situ" calibrations

were performed by NBS personnel. In this way, improved measurement

assurance was provided to strengthen the traceability links between actual,

installed instrumentation and the national standards for these measurements

In the area of humidity calibrations, a microprocessor has been

interfaced with the humidity calibration facility to automate the

calibration of hydrometers. The volumetric transfer standards were verified

via gravimetric calibrations.

FLUID FLOW GROUP

An Investigation of Organized Motions in Coflowing Streams

R.W. Davis

A joint computational/experimental investigation of the entrainment

process in the mixing of a round jet with a coflowing stream has been

carried out. The overall objectives of this work were to identify and

characterize coherent motions in the mixing region, investigate the dynamic

role these motions play in the entrainment process, and determine the extent

- 99 -
to which entrainment is affected by such factors as initial conditions and

forcing. The computational portion of this investigation produced numerical

models for forced spatially-developing axisymmetric and two-dimensional

mixing layers. It was shown that the vortex merging behavior in both types

of mixing layers is determined by the subharmonic content of the forcing

function. It was found experimentally that linear parallel flow stability

theory agrees qualitatively with measurements, but does not produce accurate

quantitative predictions of spatial growth rates. It was also found that

the previously used scaling laws describing the character of the initial jet

instability need to be changed. Replacement scaling laws have been advanced

and verified and are based upon the average of the jet and local minimum

speeds. With these new scaling laws, improved descriptions can now be made

of the initial entrainment and mixing processes.

A Vortex- Induced . Liquid Handling and Accountability

Procedure at Zero Gravity

T.T. Yeh, R.W. Davis

A two-stage process for handling two-phase, i.e., gas-liquid fluid

systems in cylindrical tanks at zero gravity has been modeled using

analytical and computational techniques. The initial "spin-up" stage is

established by tangential fluid injection. A simplified model of this stage

has been developed using several phase interactions such as fluid drag and

virtual mass effects. The results of the spin-up stage predict the gasliquid separation characteristics as liquid centrifuges to the outer wall of

the circular tank, leaving the gas to occupy the center core region.

The second stage "pump-out" from the tank is modeled using an NBSdeveloped code which computes forced liquid withdrawal from the cylindrical

tank. The results give complete velocity and pressure conditions for the

drawdown process.

The two stages form a composite description for a range of parameters

that can be tested and evaluated for their influence on liquid handling and

accountability at zero gravity. Experimental verification is needed for a number of the simplifying assumptions and the accuracy of the predictions of

the models.

Flow Installation-Effects Research

G.E. Mattingly, T.T. Yeh

An NBS-DOE funded research program has been initiated to produce

effective flowmeter installation specifications that are critically needed

- 100 -
for improved fluid measurement standards. Because the planned results of

this program impact the entire fluid metering community, an industrygovernment consortium is being formed to accelerate progress and enable

industry - both meter manufacturers and users alike, to participate, to use

the results, and to guide subsequent phases of the research. The strategy

adopted for this program contrasts markedly with that used in the past.

Conventionally, it has been the practice to conduct very considerable

numbers of specific meter calibrations to determine the minimal distances

(between meter and piping configuration) for which uncertainty levels on meter factors are to be increased by specified amounts. Through this

conventional approach, little was learned about the salient features of the

pipeflow profiles involved. The currently adopted strategy focuses on these

profiles - specifically - without any flowmeter, measures these profiles

using Laser Doppler Velocimetry (LDV) , and characterizes them and their

changes with distance from the piping configuration. With these results a number of organized, informed calibration tests can be carried out by meter

manufacturers and others so that specific results, i.e., discharge

coefficients, meter factors, etc. are thereby related to pipeflow

characteristics. In this way, meters can be installed in any locations

where their performance is satisfactorily stable and meter factors or discharge coefficients predicted for the installation. It is expected that

this strategy will produce installation specifications for metering

standards which will enable satisfactory flow measurements to be made in

less-than-ideal circumstances. Subsequent phases of this research have been

suggested by industry participants to focus on the effectiveness of flow

conditioners for achieving improved meter performance in nonideal meter

installations

.

Vortex Shedding Flowmeter Research

G.E. Mattingly, T.T. Yeh

An industry-government consortium has been formed to conduct a program

of research on the stability of vortex shedding in a generic vortex shedding

flowmeter geometry. Current consortium participation consists of flowmeter

manufacturers and users from the U.S. and abroad. This two-year program

uses the Laser Doppler Velocimetry (LDV) system to measure vortex

characteristics in the generic meter geometry through a range of closely

controlled conditions. Research results are provided to the consortium

membership via regularly scheduled meetings and reports. Ultimately, the

results of this program will be published in the open literature.

Consortium members who are meter users (or potential users) will benefit

from having unique data describing vortex shedding flowmeter performance.

These results and those expected from successive phases of this research are expected to produce improved performance from vortex shedding flowmeters.

- 101 -
Orifice Discharge Coefficient Database Development

G.P. Baumgarten, W.G. Cleveland, J.R. Whetstone, S. Woo

A fully documented database is being developed for flange tapped

orifice meters. The currently used database was developed during the 1930's over a relatively small range of Reynolds numbers. NBS is nearing

completion of two projects which cover the intermediate Reynolds number

range (5,000 to 2,500,000) and the high Reynolds number range (50,000 to

14,000,000). The intermediate Reynolds number project is being done in the

NBS-Gaithersburg laboratories and the high Reynolds number work is being

done in collaboration with the Natural Gas Pipe Line Company of America

(NGPLA) at their Joliet, Illinois, test site. NBS has developed the

measurement systems used in the NGPLA tests and is reducing the data as it

is acquired. Both projects are nearing completion with the final reports

expected in 1986.

During 1985 it became clear that the effects of rust on the surface of

the meter tubes caused considerable irreproducibility in the databases

collected through December 1984. Extensive investigation for sources of

this effect were made in the measurement systems, and in effects of surface

roughness caused by rust on the meter tube surfaces. The measurement

systems were found to be performing properly. After a considerable amount

of testing, it was shown that the effects of relatively small, rapidly

formed amounts of rust were the cause of irreproducibility in the data.

Various corrosion inhibition methods were investigated without success. Finally, the solution to the problem was found in the application of a 25 ^.m

plating of electroless nickel to the interior of a single meter tube. Test

results of that meter tube showed excellent reproducibility. Corrosion on

the surface of the meter tube was eliminated. The remainder of the meter

tubes were electroless nickel plated and the entire database has been

reproduced with uniformly good results. Completion of data collection is

expected in December of 1985. A second round of tests at NGPLA were also

completed

.

The results of these projects combined with similar data in the low

Reynolds number range are expected to form the basis for a new orifice meter

flow measurement standard to be promulgated by the American Petroleum

Institute

.

- 102 -
MULTIPHASE REACTING FLOWS GROUP

Drop Extension and Breakup in Mixer Blade Flow Fields

R.C. Calabrese, N. Bryner

A liquid- liquid drop dispersion flow loop facility has been

constructed, in collaboration with the University of Maryland, to study the

deformation and breakup of drops in the vicinity of sharp-edged bodies which

simulate real mixing elements. The facility uses laser velocimetry, high

speed photography, and the hydrogen-bubble technique to characterize flow

fields and drop behavior. Initial laser-velocimeter results for the

unobstructed test section were presented at Mixing Conference X, Henniker,

New Hampshire, in August, 1985. These data suggested that the settling

chamber and converging section are removing large scale turbulence and

providing desirable velocity profiles, but more data must be collected to

better understand the flow field before the mixer element is installed. The

early data also indicate that the hydrogen bubble technique must be used to

visualize the flow around the blade before taking further laser velocimetry

measurements. The flow visualization technique will permit crude studies of

velocity gradients and shear fields. The preliminary studies will dictate

which areas around the blade must be studied further and, after complete

characterization of the flow, drops will be added to allow study of the

deformation and breakup process. A mechanistic model for drop stability is

being developed concurrently.

On-Line Consistency Measurement

A.K. Gaigalas, J.R. Whetstone

The objective of this project is the development of an accurate, non- intrusive measurement technique for on-line global sensing of consistency

(solid-phase fraction) in paper pulp flows. The technique utilizes

interference effects on radio frequency waveguides. The waveguide is a part

of the piping system carrying the slurry. Recent efforts were directed

toward scaling up the technique to a six-inch diameter pipe size from the

two-inch diameter prototype on which experiments had been completed earlier.

A six-inch diameter prototype was constructed and has been successfully

tested in the pulp loop at the Institute for Paper Chemistry in Appleton,

Wisconsin. Currently, a version of this meter, suitable for use in an actual paper mill environment, is under development.

- 103 -
Formation of Bubbles in Shear Flows from Orifices

A.K. Ghosh, J.J. Ulbrecht

The process of bubble formation from submerged orifices in a moving

continuous phase of Theologically complex liquids is being investigated.

Both experimental and numerical techniques are used to determine the bubble

growth rate during the formation of gas bubbles and the final bubble size.

Unlike the earlier models published in the literature, this new model does

not assume a spherical shape of the bubble, nor does it introduce an artificial condition of detachment. Further, it allows for the inclusion of

a drag force exercised either by a Newtonian or non-Newtonian liquid flowing

past the bubble. The influence of various parameters on the bubble size is

also being studied by varying the gas flow rate, liquid phase velocity,

orifice diameter, and the liquid height. A high-speed photographic

technique is used to determine the actual bubble profile and the detachment

criteria. The photographic images are digitized using an image analyzer.

Both the experimental and numerical results, obtained so far, indicate

that the superimposed liquid drag reduces significantly the growth period

and thus the final bubble size. The agreement between the experimental and

numerical results is very encouraging. The project provides a basis for the

modeling of gas-liquid contactors, such as stirred-tank reactors,

biochemical reactors, bubble columns, and distillation trays.

Formation of Bubbles in Shear Flow from a Gas-Filled Cavity

K. Yuk, J.J. Ulbrecht

The mechanism of gas dispersion in liquid in a stirred tank is

simulated by a rotating flow past a stationary blade. The gas cavity behind

the stationary blade is formed by feeding air directly into the downstream

side of the blade, and is found to be similar to those observed behind

rotating stirrers. The local size distribution of the gas bubbles

redispersed from the tip of the cavity will be' determined with a photoelectric capillary probe. The effect of Newtonian and non-Newtonian

liquid properties and flow parameters on the bubble size will also be

investigated. The force acting on the blade is measured by a strain gage

mounted on the blade arm, and can be used to determine the power requirement

of the stirrers.

- 104 -
Solid-Liquid Flow Loop

G. Kulin, K.E.B. Lofquist

The solid-liquid flow loop now in operation has two important features:

capability for continuous operation with solids by-passed around the pump

,

and essentially constant flowrate of solids for a given hopper opening,

regardless of changes in water flowrate or settling-out of solids within the

loop. Several minor modifications to the loop were made to enhance its

performance, including an additional air-cushion surge tank, a modified

elbow upstream of the test section, and improved pressure-drop measurement

capability. Experiments were completed in which light was transmitted

chordally across the two- inch transparent pipe at several locations,

detected, and analyzed with a signal processor as a check on uniformity of

flow conditions along the test section. These measurements ensure that

observed concentration fluctuations are not caused by the lock rotation or upstream elbow. A theoretical-empirical model for velocity and

concentration distribution in the flow was developed. Plans are being made

to develop the loop as a slurry metrology test facility.

Solid Phase Distribution Measurement Using X-Ray Tomography

J.R. Whetstone, D.S. Loebbaka

The simultaneous measurement of the solid and liquid phase

concentration and distribution, in solid-liquid systems, may be accomplished

in a nonintrusive manner using the tomographic reconstruction method.

Considerable effort has been devoted to an alternative technique, based on Compton scattering of X rays rather than the generally used transmission

method. Such a technique reduces the mechanical complexity of the device

considerably. Feasibility experiments resulted in the decision to continue

with the transmission technique. The first prototype was used to measure

chordal average solid-phase concentrations, along seven approximately

horizontal and equally spaced chords, in a horizontal plastic pipe two

inches in diameter. Measurements were successfully completed on a flow of

0.55 mm sand particles (in water), at concentrations ranging from near- deposit conditions at the bottom of the pipe to essentially zero near the

top, with estimated accuracies of + 5 percent.

Measurement of Shear Rate Near a Stirring Blade

B. Robertson

Apparatus for this measurement is being assembled. The shear rate is

measured electrochemically in a salt solution flowing by the blade. A

- 105 -
microelectrode is inserted flush with the surface of the stirring blade

where the shear rate is to be measured. If a large voltage is applied to

the electrode all of the ions at the surface of the electrode will react so that their concentration will vanish there. These ions are replaced by ions

diffusing from the bulk of the fluid. The electric current, which is

proportional to the rate of reaction at the electrode, is limited by this

diffusion. Flow of the fluid tangential to the wall brings the ions more

rapidly to the electrode, and so increases the current in a predictable way.

A rotating disk apparatus, which uses the same electronics, has been

set up for measuring the Schmidt number. The technique has been developed

recently by C. Deslouis and B. Tribollet in Paris and transferred to us last

summer. The speed of rotation of the disk is modulated sinusoidally, and

the resulting sinusoidal variation in the limiting current is measured.

Comparison with theory yields the Schmidt number directly, without having to

know the concentration of the diffusing species or the active area of the

working electrode on the rotating disk. This technique will also be used to

measure the diffusivity of oxygen in aqueous solutions.

HIGH TEMPERATURE REACTING FLOWS GROUP

Particle Formation in High Temperature Processes

R.J. Santoro, J.J. Horvath, H.G. Semerjian

Nonintrusive laser diagnostics are being applied to investigate

particle formation processes in hydrocarbon flames. Detailed measurements

of the soot particle fields using laser light scattering techniques have

been obtained for a series of laminar diffusion flames. Complementary

temperature and velocity measurements have been made in order to examine the

effects of variations in the temperature and particle residence time on the

soot growth process. Independent variation of the temperature in the flames

has been investigated through the addition of inert diluents to the fuel and

air flows. The experiments have demonstrated the strong temperature

sensitivity of the soot formation process. Studies involving a series of

fuel species (ethene, ethane, and methane), as well as a range of fuel flow

rates, have elucidated the mechanisms responsible for soot particle escape

from these flames. The importance of radiative transfer in establishing

conditions conducive to soot particle production has been identified. The

results of detailed soot growth calculations based on these studies are being used to form the basis of a soot formation model. More recently,

experiments have been extended to a wider range of fuels including

acetylene, propene and butene to examine the effect of fuel structure on

soot formation. In these experiments, the temperature has been kept

constant to isolate fuel structure (as a variable) from other effects. A

- 106 -
prevaporization system has recently been completed to allow studies of

liquid fuels under similar conditions. These studies are intended to

examine soot formation under conditions more directly related to practical

systems

.

Efforts to understand the growth of particles in flames have also led

to developments in the area of the application of optical diagnostics to

particle size measurement. Measurements made in this laboratory have shown

that, under certain conditions, light scattering measurements made on soot

particles can exhibit incompatibilities with Mie theory predictions. These

incompatibilities arise when measurements utilizing different scattering

properties are used to obtain particle size. Our present efforts have

concentrated on particle size measurements utilizing the ratio of scattering

at two angles, the scattering- to-extinction ratio, and the polarization

ratio. Each of these techniques yields an independent measure of the

particle size. Efforts to bring these observations into agreement have

examined two possible effects: the occurence of low density agglomerates,

exhibiting markedly lower refractive index, and the presence of randomly

oriented spheroids. Both of these approaches provide qualitative agreement

with the experimental observations. Additional work is required to provide

a more quantitative comparison. Presently, consideration is also being

given to multiwavelength scattering measurements to provide more information

on the particle nature. Efforts are also underway to investigate formation

of particles other than soot. Metal particle sprays, silicon particle

formation, and ceramic particle production represent novel research areas

for application of similar techniques. A cooperative program, with the NBS

Institute for Material Science and Engineering and the NBS Office of

Nondestructive Evaluation, is being initiated this year to study metal

particle formation processes.

Particulate and Droplet Diagnostics in Spray Flames

C. Presser, H.G. Semerjian, R.J. Santoro

Dynamics of spray flames are being studied to investigate droplet

vaporization, pyrolysis, combustion , and particulate formation processes, and

to delineate the effect of chemical and physical properties of fuels on the

above processes. The results of this study will provide an experimental

data base, with well defined boundary conditions, for the development and

validation of spray combustion models being developed by JPL, Sandia, and

Los Alamos National Laboratories. The experiments are being carried out in

a spray combustion facility, with a moveable-vane swirl burner, which

simulates operating conditions found in practical combustion systems. A

combination of nonintrusive probing techniques is being used to obtain

comprehensive data on the spray combustion characteristics, including soot

particle and droplet size, number density and volume fraction, gas

composition, and velocity and temperature fields.

- 107 -
Current efforts are focused on laser scattering and laser Doppler

velocimetry measurements, which are being used to determine the correlation

between droplet size and velocity distributions, respectively, in both low

temperature and burning sprays.

High Speed Laser Tomography for Measurement of Concentration

and Temperature Distributions in Reacting Flows

S.R. Ray, H.G. Semerjian

The technique of high speed laser tomography is under development to

allow rapid measurement of temperature and chemical species concentration

distributions throughout a two-dimensional "slice" within time-varying

chemically reacting flow fields. Work has progressed from time averaged

measurements of steady phenomena, such as laminar diffusion flames and

gaseous jets, to real time measurements in sodium- seeded flames. Using the

experience gained, the temperature and OH concentration field were measured

in a premixed methane flame within five milliseconds. This was achieved by

sweeping an ultraviolet laser beam through the field every millisecond while

tuning the laser frequency over an OH absorption line. The experiment used

an axially symmetric flame, requiring only a single measurement angle.

Current work has focused on rapid measurements in nonsymmetric fields

at repetition rates up to 10 kHz, using a six angle tomography approach.

The new system has been used to measure the particle concentration field in

rapidly fluctuating flames. As a parallel effort a number of alternative

reconstruction techniques have been investigated, using computer

simulations, to identify the approach ideally suited to this experiment.

The maximum entropy method is found to be the most suitable, especially for

reconstructing the field from a small number of projections (e.g. six

angles)

.

Flame Temperature Measurements by Laser Excited Fluorescence

J.J. Horvath, H.G. Semerjian

A new nonintrusive temperature measurement technique, based on laser

excited fluorescence, is being developed for measurements in hightemperature chemically reacting flows. In this method, an upper electronic

state is populated from the ground state by means of laser excitation. The

population in this excited level is collis ionally redistributed, then

radiatively decays, and the resultant fluorescence is detected as a function

of energy level. The temperature is then obtained from the plot of

fluorescence intensity vs. energy, which yields a straight line due to the

- 108 -
presence of a local Boltzmann distribution throughout the higher energylevels. The fluorescence observed is antiStokes of the excitation pulse,

hence this method is applicable to high luminosity flames and conditions of

high background Stokes fluorescence. This method is applicable to both

naturally occurring species such as OH, CH, and C„ or atomic species seeded

into the flame. Initial experiments have used gallium as the seeding

species in premixed flames. A tunable dye laser, pumped by a nitrogen

laser, is used to excite the 4P.. ._-5S „ transition of Ga at 403.3 nm and

the resultant fluorescence from upper levels is observed. A wide variety of

premixed flames were studied in order to determine the useful temperature

range of this technique. Flames studied were CH^/Ar/O^ , CH^/Air,

C^H^/Ar/O^, and C

2 H^/Air. The temperature of these flames could be varied

from approximately 1950 to 2500 K depending on flow conditions.

Experimentally measured temperatures were found to be about 100-150 Kelvins

below the adiabatic flame temperature calculated using the NASA computer

program. Fluorescence signals were also obtained in an ethylene diffusion

flame, but an unexpected broad band fluorescence was observed which yielded

abnormally high temperatures. To correct for this broad band fluorescence

interference, computerized data reduction schemes were developed.

Experimental results in a CH^ diffusion flame were presented at the

Conference on Lasers and Electro-Optics in May 1985. Work continues on techniques which allow temperature measurements with a single 10 ns laser

pulse in diffusion flames.

Optical Sensing in Bioreactors

H.G. Semerjian, J.J. Horvath

Recent advances in molecular biology have led industry and government

agencies to recognize the economic potential for applying these advances in

a diversity of industrial sectors, including the production of new drugs,

food additives, and chemicals, and conversion of biomass, etc. However,

implementation of these new technologies requires measurement capabilities

which do not currently exist. Bioprocesses require a very closely

controlled environment, normally realizable only in batch processes. This

is mainly because of the complex kinetics of most bioreactions, separate

periods of growth and product formation, biocatalyst degeneration,

contaminant risks, and in mechanical difficulties of handling a Theologically complex material. Therefore, development of new on line

measurement techniques is critical for future implementation of

bioprocesses. Furthermore, nonintrus i ve measurement methods are desirable

to avoid difficulties associated with sampling, contamination, long response

time, etc.

- 109 -
Optical techniques, especially with the use of tunable lasers, provide

the best potential for making nonintrus ive , rapid, and selective

measurements. Use of fiber optics can also enable the development of probes

which are sterilizable , can provide measurements with good spatial

resolution, and can be multiplexed to provide multipoint monitoring

capability. Laser induced fluorescence, Raman scattering, and infrared

absorption techniques will be utilized for measurement of key process

variables such as cell mass activity, cell concentration, and concentration

of substrates and products. As part of a recently initiated project,

preliminary experiments have been carried out on fluorescence

characteristics of amino acids, indicating good sensitivity. These

experiments will be extended to dipeptides, polypeptides, and esters. Raman

and resonance Raman scattering will also be utilized to provide more species

selectivity. Fluorescence techniques are also expected to provide a powerful tool for cell activity and intracellular kinetics measurements.

Emission Spectroscopy for Control of Combustion/Gasification Systems

S.R. Charagundla, A. Macek, H.G. Semerjian

Currently available control techniques for gasifiers, black liquor

recovery boilers, and other industrial boilers are usually based on stack

gas analysis. In- situ monitoring techniques, explored in this project,

offer fast response as well as specific advantages in developing control

strategies for multi-burner systems and for staged combustion systems. The

goal of this project is to develop in-situ (remote sensing) techniques,

based on emission spectroscopy, for measuring temperatures and chemical

species in high- temperature reactors.

One application of the ongoing emission spectroscopy work is in the

black liquor recovery boiler. Investigations thus far have characterized

the emission spectra (from actual black liquor recovery boilers) in the

wavelength range of 300 nm to 800 nm, using a spectrometer equipped with an Optical Multichannel Analyzer (OMA) . These data indicate that only the line

emissions from sodium at 589 nm, mostly in self-absorption, and from

potassium at 404.4 nm and 766.5 nm, are readily observed. The potassium

line emissions have been investigated in the laboratory using premixed

methane/air flames seeded with black liquor or potassium chloride solution

mist. These laboratory investigations indicate that line emissions due to

potassium at the two wavelengths (404.4 nm and 766.5 nm) can be used to

calculate the gas temperature (assuming Boltzmann distribution) by the line

intensity ratio technique. A 4-channel optical system has been developed,

including a branched fiber-optic bundle, each branch being connected to a bandpass filter, photodetector, and amplifier. The system allows

simultaneous measurements of intensities of the two potassium lines and the

- 110 -
corresponding background (continuum) emissions. The four color system is

interfaced with a personal computer equipped for simultaneous data

acquisition on four channels. A prototype probe system is being assembled

now for testing at a paper mill site. Successful application of this

technique to black liquor recovery boilers would demonstrate its potential

for use in other high temperature reactor systems.

In the other application of emission spectroscopy, an extensive set of

pyrometric and spectroscopic (OMA) data have been obtained from the reactor

of a coal-gasifier pilot plant (Mountain Fuel Resources, Inc.) by means of

multichannel fiber optics. The data have led to significant conclusions

regarding the conditions in the interior of the reactor. It has been shown

that: (a) there are large and rapid temperature fluctuations inside the

reactor even at nominally steady fuel and oxidant feed rates and (b) line

and band emission spectra of alkali and earth alkali atoms and compounds

(Li, Na , K, Ca, CaO, CaOH, CaCl) are consistently observable features,

characteristic of the coal gasification process. It is concluded that

temperature alone is not a reliable indicator for the purpose of gasifier

process control and safety. However, simultaneous optical measurements of

temperature and one or more characteristic spectral lines and/or bands are promising for the development of on-line process monitors.

Fundamental Studies of Black Liquor Combustion

A. Macek, N.D. Amin, S.R. Charagundla, H.G. Semerj ian

Efficient operation of black liquor (BL) recovery boilers requires more fundamental information on combustion of BL droplets than is currently

available. The problem of measurement of the pertinent combustion

parameters is addressed by a joint project with the Institute of Paper

Chemistry under DoE sponsorship. The NBS tasks of this joint project are directed toward studies of vaporization, pyrolysis, ignition, and combustion

of dilute streams of BL droplets. Construction of a high- temperature

dilute-phase plug flow reactor (DPFR) , specifically designed for such

studies, is almost completed. Prior to the operation of the completed DPFR,

an auxiliary reactor utilizing parts of the DPFR has been constructed,

tested, and used for BL droplet injection studies.

A positive-displacement technique, in which individual droplets are extruded from a hollow needle, was developed earlier in this project for on- demand generation of highly viscous droplets with diameters of the order of

1 mm. This technique has now been successfully modified to allow injection

of BL droplets (60% solids) into high- temperature streams in the auxiliary

reactor. High-speed photography has been used for (a) observation of the

processes of BL droplet formation and detachment from the needle tip, (b)

measurement of droplet diameters prior to detachment, (c) measurement of inflight droplet diameters after detachment, and (d) velocities of droplets

- 111 -
falling in a counterflowing hot gas stream. Droplet diameters in these

studies were varied from 1.3 to 2.3 mm, gas temperatures from 1,000 to

1,350 K, and gas velocities (upward) from 1.7 to 4.2 m/s. These are the

ranges of parameters projected for actual use in the DPFR.

The DPFR constructed in this project will also be used for

investigation of pyrolysis and oxidation of other fuels (such as coal/water)

as well as oxidative destruction (incineration) of hazardous wastes. In

addition to high-speed photography, the diagnostic techniques planned for

future studies, both with BL droplets and other fuels, include laser-based

nonintrusive measurements and gas -chromatographic analysis of samples

extracted from the reactor.

High-Temperature Oxidation of Chlorinated Hydrocarbons

H.G. Semerjian, R.J. Santoro, A. Macek

Control of products of incomplete combustion (PIC) , generated during

incineration of hazardous waste, requires an understanding of rates and

mechanisms of oxidation and thermal decomposition of its principal con- stituents (mainly chlorinated hydrocarbons) . The experiments to provide

such an understanding should be performed under well-controlled operating

conditions which simulate the critical operating parameters (i.e., residence

times, temperature, and oxygen content of the gas stream) of full-scale

incineration systems. A project to accomplish this goal has been initiated,

under the sponsorship of EPA. So far, a literature review of the subject

has been initiated, and plans frave been made for experimental studies.

The key experimental apparatus for this study will be a hightemperature flow reactor, allowing reaction residence times of the order of

seconds, with multiple access ports for both sampling and nonintrusive

optical measurements at various reaction stages. This facility will be

provided at NBS by adaptation of the dilute-phase plug flow reactor for

droplet combustion studies, which is currently near completion. While later

stages of this project may also include work with droplets of chlorinated

hydrocarbons, it is anticipated that the initial studies will be done with

gaseous reactants. The main modifications of the existing reactor,

therefore, will include: (a) lines for metered injection of gaseous

reactants at the upstream end of the reactor; (b) a movable probe for gas

sampling; and (c) gas -chromatograpic analysis capability for small amounts

of chlorinated species. The capability of attaining the desired

temperatures (up to 1300 K) , oxygen contents (0 to 21%) , and gas residence

times (1 s or more) -- as well as provisions for nonintrusive optical

diagnostics -- are included in the basic design of the reactor. The flow

capabilities of the reactor have already been demonstrated in the project on fundamentals of black liquor combustion.

- 112 -
Optical Measurements In Fluidized Bed Reactors

A. Macek, N.D. Amin

A high- temperature fluidized bed reactor is being maintained and

instrumented for research toward development of advanced in- situ measurement

techniques. The reactor has a square cross-section, 15x15 cm, and has a gas

throughput capability of up to 150 cm/s at temperatures up to about 1150 K.

The principal advance beyond the state-of-the-art probing of fluidized beds

has been the development of an optical probe, allowing observations at one

or more arbitrarily chosen locations in the interior of the bed. In the

first application of the technique, reported previously, temperature

measurements were obtained of burning particles inside the bed. The second

application, currently in progress under DoE sponsorship, is a study of

solids movement in f luidized-bed reactors. The study is based on the fact

that a burning particle generates a distinct signal as it arrives at an optical probe location. The impetus for this study is the importance of the

problem of mixing in fluidized beds, used in many chemical engineering

processes

.

In the mixing study, measurements are made of arrival times of fuel

particles from the point of their injection (either at the top or near the

bottom of the bed) to locations of two separate optical probes inside the

bed. These arrival times, which are statistical quantities, are recorded

simultaneously on two channels in both analog (stripchart) and digital form.

Two quantitative mixing parameters have been defined and measured as a function of fluidization parameters. One of these is the first observed

particle arrival time, t , after injection of a particle batch; this

parameter measures the dispersal efficiency of particles from the injection

location. The second mixing parameter is the average frequency of arrivals

at probe i, f. = N./t, where N. is the number of arrival counts over the

period t. This parameter gives a measure of circulation efficiency of

particles at the location of probe i. It has been found that t and f. are:

(a) strongly affected by the gas fluidization velocity; (b) significantly

affected by bed depth and location of optical probes in the bed; and (c)

virtually unaffected by other fluidization parameters (temperature, oxygen

content in gas, particle sizes) over the range of interest in f luidized-bed

combustion. The measurements of t and f. have resulted in definition of

three mixing regimes, in terms of Himensionless fluidization velocities,

U/U^: (a) good mixing throughout the bed; (b) no penetration of particles

from the surface into the interior of the bed; and (c) an intermediate

regime in which there is circulation of solids in the upper portions, but

stagnation in lower portions of the bed.

- 113 -
PROCESS SENSING GROUP

Adsorptive and Desorptive Characteristics of Water Vapor Interacting

with Polymer Composite Film for Humidity Sensing

P . H . Huang

Polymeric films have been used increasingly in solid state electronics

as sensing elements for species concentration measurements in gases. The

objective of this work is toward better understanding of the sorption and

desorption isotherms of water vapor on a polymer composite film. The

composite films of polyvinylchlor ide - styrenesulfonate have been investigated

using the measured electrical conductance of the sensing film, at various

frequencies, as a function of relative humidity at temperatures of 25, 50,

and 90 C. A method is used to determine thermodynamic functions of the

water vapor-polymer matrix interaction based on the measured conductivity

data. This method of combined electrical and thermodynamic characterization

of a gas/polymer system may be used to provide a means for designing

suitable materials for gas sensing and may provide a method to model

improved gas sensor behavior.

The experimentally determined entropy change on sorption/desorption is

used to characterize and determine the degree of hysteresis occurring in the

adsorbate/polymer system. The enthalpy change on sorption/desorption

provides a direct measurement of the bonding state of adsorbates within the

polymer composites and is used to characterize and determine the manner in

which the adsorbed water molecules are bonded to specific sites in the

polymer matrix. The free energy change on adsorption/desorption is used to

represent the tendency of water vapor/polymer composite system for

interaction. These thermodynamic functions have been obtained as a function

of temperature, up to 90 C, at various relative humidities, in the range 5 to 97 percent, for a polymer composite film of polyvinylchloride

styrenesulfonate

.

Evaluation of Relative Humidity Values for Saturated Aqueous

Salt Solutions Using Osmotic Coefficient

P.H. Huang, J.R. Whetstone

The primary objective of this research is to provide a data base for

relative humidity values in air in equilibrium at one atmosphere, for

calibration of humidity sensors using saturated aqueous salt solutions.

There is an increasing need for science and industry to provide a wide range

of constant relative humidity values at elevated temperatures using

saturated salt solutions. The thermal properties of aqueous electrolytes

(such as the apparent molal heat capacity, and the relative

- 114 -
apparent molal enthalpy as a function of molality up to saturation) required

to obtain relative humidity values, are very limited in the literature and

appear to be available only for sodium chloride and potassium chloride

solutions. Experimental data on water vapor pressure, for most of the

Q saturated salt solutions, are not available at temperatures up to 100 C.

We have recently used a new method to evaluate the values of relative

humidity in air, at one atmosphere, for eighteen saturated and stable uniunivalent, uni-bivalent, and bi-univalent water- saturated salt solutions.

The method has accurately represented correlating equations for the osmotic

coefficient, and experimentally determined osmotic coefficient values for

the systems at 25 C. A form of the Weiss equation is used to fit values of

the saturated salt solutions molalities up to a temperature of 100 C. Corrections for the nonideality of water vapor are made. The results for

saturated aqueous sodium chloride solutions are compared with those obtained

from a rigorous thermodynamic method.

Tables have been provided for relative humidity values of eighteen

saturated salt solutions of sodium chloride, sodium fluoride, ammonium

chloride, lithium chloride, potassium chloride, sodium nitrate, potassium

nitrite, sodium nitrite, barium chloride, strontium chloride, cobalt

bromide, nickel chloride, nickel nitrate, lithium sulfate, potassium

sulfate, sodium carbonate, sodium sulfate, and potassium carbonate. The

salts cover the range from approximately 3 to 97 percent relative humidity

over the temperature range 50 to 100 C. Also included are associated

solubilities, osmotic coefficients, and Gibbs energies of water in the

solutions. Maximum errors of the evaluated osmotic coefficients and

relative humidity values are also provided,

Thin Film Thermocouples

K.G. Kreider

Thin film sensors are being investigated which will permit improved

temperature and composition measurement in chemical process streams. Thin

film thermocouples can provide dramatic improvements in response and

accuracy for measuring temperatures in process streams. The DoE sponsored

work on high temperature gas turbine thermocouples has been published, and

emphasis is now being placed on thin film thermocouples for diesel engine

combustion chambers. Present activities include an investigation of the

feasibility of using new base metal systems on alumina and partially

stabilized zirconia, and development of adhesion enhancers between the

precious metal thermocouples and the ceramic hardware materials. The new sputtered film systems include the nisil-nicrosil bimetallic system, which

has the highest temperature capabilities of any base metal system, and

chromel-constantan, which has the highest output.

- 115 -
Large thermocouple arrays (20x20 cm) have been produced using type E

(chromel-constantan) sputtered alloys on polyimide film. These arrays are capable of determining average temperatures of large areas involved in heat

transfer, such as windows, with minimal perturbation of the convective heat

transfer. The arrays can also simultaneously measure temperature

distribution over large areas.

Thin Film Sensors

K.G. Kreider

Tin oxide and iridium tin oxide (ITO) films are being investigated as transparent electrical conductors. These films can be produced yrith

excellent transparency and still exhibit useful conductance (10 cm/ohm)

for heat generation. The Army is interested in these films for

decontamination. By tailoring the Fermi level of the intermetallic oxide,

exceptional optical and electrical properties can be realized. Other oxides

investigated for their electrical/optical properties include ZrO^ and Ta^O^

.

The sputtered films have unique structural characteristics and can be

produced in amorphous, metastable, or equilibrium forms. X-ray,

ellipsometry , and four point probe tests are used to monitor the properties.

Because of its unique capabilities for producing films, the RF planar

magnetron has been used to produce quasi-crystals. The first experiments

have been used to relate the fabrication temperature and annealing

temperatures to the X-ray structure of the aluminum-manganese system. This

system has unusual electrical, magnetic, and structural characteristics. By

precisely controlling the substrate temperature during sputter deposition,

the first icosahedral quasi-crystals were produced by film deposition.

Competition between the amorphous, Al^Mn, icosahedral, Al^Mn, and

T(dodecahedral) phases was monitored using X-ray diffraction on alloys with

30 weight percent Mn.

Iridium oxide thin films are being studied as chemical sensors based on their pH response. A study of the materials for pH sensing related to

nuclear waste containment was published for the Nuclear Regulatory

Commission. The relationship between the fabrication, structure, and

properties of sputtered IrC^ films is also being studied. The transition

from amorphous to crystalline IrCL (rutile) was documented (J. Vac. Sci.)

and related to the electrical conductivity. This structural definition

appears to be a critical point in explaining previously published

contradictory results on ion interferences and stability.

- 116 -
Chemical Sensor Research

S. Semancik, D. Cox

Contact sensors can detect and quantify a variety of chemical species,

and they are therefore of potential use in a large number of process control

applications. However, for these devices to reach their fullest utility,

certain performance shortcomings that now exist must be overcome. The most

serious problems are connected with attaining desired levels of selectivity

and reproducibility in the sensor measurements. Dealing with these

inadequacies requires a deeper understanding of the fundamental interactions

that occur between the sensor and its environment.

In essentially all cases, the species being monitored adsorbs on the

active film of the sensor and produces a change that affects both the

interface chemistry and the physical properties of the film. It is from

these changes that a measurable signal is derived (e.g., a change in

conductance produces a lower current flow through the device) . In order to

understand the mechanisms which relate the chemical effects and physical

responses within the sensing film element, a special combination of

techniques is being assembled into a single apparatus in the Process Sensing

Group

.

The main dual chamber vacuum system for this apparatus was installed

at NBS during May 1985. Components were fitted for X-ray and ultraviolet

photoemission, and a small spot ion gun was mounted which will be used in

ion scattering measurements. These techniques have been fully tested and

are now operational. The computer-based data acquisition and control

equipment for the facility has also been installed. A gas handling system

was designed and constructed within the Group, and connected to the vacuum

enclosure, to provide pure gases and gas mixtures to simulate different

environmental ambients. A vibrating reed capacitance probe was procured for

monitoring film work-function changes, and arrangements were made to

assemble hardware that will be used to study substrate and overlayer

structural factors. Installation of these components and a specially

designed mass spectrometer is expected in the early part of 1986.

This new facility will permit changes in composition and stoichiometry,

produced by adsorption, to be monitored in a variety of sensing materials.

More importantly, these effects will be directly correlated with electronic

sensing measurements made within the same system and on the same model

substrates. Work thus far has been focused on the interaction between water

vapor and oxide surfaces. Initial results for tin oxide (SnO ) , a semiconducting material widely applied in gas sensing applications, have

demonstrated that the structure and adsorption chemistry of tin oxide is

strongly dependent on the annealing temperatures at which it is treated.

- 117 -
(These findings are of importance for determining the best conditions for

fabricating tin oxide sensor films.) The adsorption of water has been

observed to alter the work-function of the SnO^ interface and cause band

bending in the electronic structure of the near-surface region. Further

investigation of these effects is expected to lead to a basic model,

explaining conductivity changes produced by water on tin oxide. Such a model would be helpful for understanding the interference effects of

moisture when SnO^ is used to detect other species, as well as determining

in what way SnO^ might be most suitably used to measure moisture content.

5. HONORS AND AWARDS

Robert J. Santoro - Department of Commerce, Silver Medal for his research on the fundamental processes leading to particle formation

in high temperature chemically reacting flows.

Andre Macek - Department of Commerce, Bronze Medal for his outstanding

contributions to the science and technology of fluidized

bed reactors.

6 . PUBLICATIONS

Charagundla, S.R.C. and Semerjian, H.G., A remote sensing technique for

temperature measurement in black liquor recovery boilers, Proc . 1986

SPIE Symposium, June 1986, Quebec City, Quebec. Canada (Submitted).

Clay, D.T. and Semerjian, H.G., Fundamental studies of black liquor

combustion, DoE Report (In Press).

Cox, D.F., Semancik, S. and Szuromi, P.D., The interaction of water vapor

with tin oxide. Tech. Dig. of Transducers '85, Proc. of Int . Conf . on Solid State Sensors and Actuators, Philadelphia, PA, June 1986, p. 385

(In Press) .

Cox, D.F., Semancik, S. and Szuromi, P.D., Summary Abstract: Structural and

electronic properties of clean and water-dosed SnO^ (110), to be

published in J. of Vacuum Sci. and Tech.

Cox, D.F., Hoflund, G.B. and Laitinen, H.A., A study of the dehydration of

tin oxide surface layers, Appl . Surface Sci., Vol . 20, pp . 30-38 (1984).

Cox, D.F. and Hoflund, G.B., An electronic and structural interpretation of

tin oxide ELS spectra. Surface Sci., Vol. 151, pp . 202-220 (1985).

- 118 -
Cox, D.F., Hoflund, G.B. and Laitinen, H.A., XPS investigation of tin oxide

supported platinum, Langmuir, Vol. 1, pp . 269-273 (1985).

Davis, R.W. , An experimental/computational investigation of organized

motions in axisymmetric coflowing streams, Nat. Bur. Stand. (U.S.)

NBSIR, to be published.

Davis, R.W. and Moore, E.F., A numerical study of vortex merging in mixing

layers, Phys . Fluids, Vol. 28, No. 6, pp . 1626-1635 (June 1985).

Dietz, T. and Kreider, K.G., Review of materials for pH sensing for nuclear

waste containment, Nat. Bur. Stand. (U.S.) NBSIR 85-3237 (1985).

Gaigalas, A.K. and Whetstone, J.R., Measurement of the dielectric constant

of slurries in pipes, Chem. Eng. Communic. (Submitted).

Goulard, R. and Ray, S.R., Optical tomography in combustion, Proc . of

Interactive Workshop on Advances in Remote Sensing Retrieval Methods,

Williamsburg, VA, Oct. 1984 (In Press).

Goulard, R. and Ray, S.R., Optical tomography in combustion and meteorology,

Proc. Workshop on Advances in Remote Sensing Retrieval Methods,

Williamsburg, VA, Oct. 1984 (In Press).

Hasegawa, S., National basis of accuracy of humidity* measurements , Trans.

Moisture and Humidity 1985, Instr. Soc . Amer., Research Triangle Park,

NC (Apr. 1985).

Hasegawa, S. and Hurley, C.W., Humidity sensors for HVAC application, Recent

advances in control and operation of building HVAC systems, Proc. Int

.

Symp . , Trodheim, Norway, 17 pages (May 1985).

Hoflund, G.B., Asbury, D.A., Cox, D.F. and Gilbert, R. E., An investigation

of the interaction of polycrystalline zirconium with 0 , N„ , CO and N„0,

Appl . Surface Sci., Vol. 22-23, pp . 252-258 (1985).

1

Horvath, J.J. and Semerjian, H.G., Laser excited fluorescence studies of

black liquor, Proc. 1986 SPIE Symposium, June 1986, Quebec City,

Quebec, Canada (Submitted).

Huang, P.H., Electrical and thermodynamic characterization of water

vapor/polymeric film system for humidity sensing, Proc. of the 1985

International Conference on Sensors and Actuators, pp . 206-209 (1985).

Huang, P.H. and Whetstone, J.R., Evaluation of relative humidity values for

saturated aqueous salt solutions using osmotic coefficients between 50

and 100 degree C, Moisture & Humidity, Vol. 1, pp . 577-596 (1985).

- 119 -
Huang, P.H., A polymeric humidity sensor and its thermodynamic

characteristics, Sensors and Actuators (Submitted).

Huang, P.H., Humidity sensing and measurement employing halogenated organic

polymer membranes, U.S. and foreign patent pending (1985).

Huang, P.H., Thermodynamic characterization of absorption/desorption

processes of water vapor/polymeric film systems for humidity sensing,

Sensors and Actuators, to be published.

Jones, F.E., A new method for estimating diverter value corrections, Intern.

J. Heat & Fluid Flow, to be published.

Jones, F.E., Algorithm for ascertaining linear range of turbine flowmeters,

Rev. Sci. Instr. (Submitted).

Kawase, Y. and Ulbrecht, J.J., Laminar mass transfer between concentric

rotating cylinders in the presence of Taylor vortexes, J. Fluid Mech.

(Submitted)

.

Kawase, Y. and Ulbrecht, J.J., Momentum and heat transfer in non-Newtonian

fluids flowing through coiled tubes, J. Fluid Mech. (Submitted)

Kreider, K.G. and Semancik, S., Thermal and sputtered aluminum oxide

coatings for high temperature electrical insulation, J. of Vacuum Sci.

and Tech., to be published.

Kreider, K.G., sputtered thin film properties, J. of Vacuum Sci. and

Tech. (Submitted).

Kreider, K.G., Aluminum oxide barriers in MoCrAlY superalloy systems, Proc

.

NASA Lewis Therm. Barriers Symp . , Cleveland, OH, May 1985 (Submitted).

Lettieri, T.R. and Preston, R.E., Raman spectroscopy of single liquid

droplets, Proc. 1984 CRDC Scientific Conference of Obscuration and

Aerosol Research, June 1985, Aberdeen Proving Ground, MD , to be

published

.

Macek, A. and Charagundla, S.R., Burning rates of lignite particles at low

furnace temperatures, Combust. Sci. Technol . (Submitted).

Macek, A., Admin, N. and Shaw, D., Characterization of solids mixing in a laboratory scale fluidized bed, Proc. DoE Advanced Research and

Technology Development Conference, Morgantown, WV , Aug. 1985, to be

published

.

- 120 -
Macek, A., Optical measurements of char-particle temperatures and radiant

emissivities in f luidized-bed combustors, Proc . of 3rd Int . Fluidized

Bed Conference, pp . 18/151-157, The Inst, of Energy, London, UK (1985).

Mattingly, G.E., Fluid metering research at NBS : new research tools and new

opportunities, Proc. of Instr. Soc . Amer., Paper No. C1.84-R767,

Houston, TX (Oct. 1984).

Mattingly, G.E., Prospects for improvements in fluid metering via new

research tools, Proc. of FLOMEKO--85 International Flow Measurement

Symposium, Melbourne, Australia, pp . 1-14 (Aug. 1985).

Mattingly, G.E., Summary report of the NBS-DoE workshop on thermal metering,

Nat. Bur. Stand. (U.S.) NBSIR 85-3242 (1985).

Mattingly, G.E., Improving flow measurement performance: research technique

and prospects, In-Tech Magazine, pp . 57-65 (Jan. 1985).

Moore, E.F. and Davis. R.W., Numerical computation of particle trajectories:

A model problem, ASME J. Fluids Eng. (Submitted).

Moore, E.F. and Davis, R.W., Numerical modeling of particle trajectories: A

model problem, ASME J. Fluids Eng. (Submitted).

Pellett, G.L., Charagundla, S.R. and Marshall, R.L., Transient processes in

combustion of single submillimeter metal droplets, Proc. of ASME Winter

Annual Meeting on Droplet Spray Combustion, ASME Paper No. 84.WA/HT-21,

New Orleans, LA, Dec. 9-14, 1984, to be published.

Potzick, J.E. and Robertson, B., Synchronous phase marker and amplitude

detector, U.S. Patent No. 4,520,320 (May 28, 1985).

Potzick, J., On the accuracy of low flowrate gas calibrations at the

National Bureau of Standards, Proc. Instr. Soc. Amer. Intern. Symp . , May

1985, San Diego, CA (Submitted).

Presser, C., Gupta, A.K., Santoro, R.J. and Semerjian, H.G., Velocity and

droplet size measurements in a spray flame, AIAA 24th Aerospace Sciences

Meeting, Reno, NV, Jan. 1986 (Submitted).

Presser, C., Gupta, A.K., Santoro, R.J. and Semerjian, H.G., Droplet size

measurements in a swirling kerosene spray flame by laser light

scattering diagnostics, ICLASS-85, The 3rd International Conf . on Liquid

Atomization, Vol. 2, VIIC/2/1-13, The Institute of Energy, London, UK

(1985) .

- 121 -
Preston, R.E., Lettieri, T.R. and Semerjian, H.G., Characterization of

single levitated droplets by Raman spectroscopy, "Langmuir" - The ACS J. of Surfaces and Colloids, Vol . 1, No. 3, pp. 365-367 (1985).

Santoro, R.J. and Semerjian, H.G., Soot formation in diffusion flames: flow

rate, fuel species and temperature effects, Proc . 20th Symp. (Intern.)

on combustion, pp. 997-1006, The Combustion Institute, Pittsburgh, PA

(1985)

.

Santoro, R.J., Yeh, T.T. and Semerjian, H.G., The transport and growth of

soot particles in laminar diffusion flames. Chap, in book. Heat Transfer

in Fire and Combusting Systems, Ed. by C.K. Law, Y. Jaluria, W.W. Yuen

and K. Miyasaka, pp . 57-69, ASME, New York, NY (1985).

Semancik, S. and Cox, D.F., Summary Abstract: Experimental studies of the

correlations between gas sensor response and surface chemistry, J. Vac.

Sci. and Tech., to be published.

Semancik, S., Doering, D.L. and Madey, T.E., Summary abstract: the

interaction of water with Li-predosed Ru (001), J. Vac. Sci. and

Tech., Vol. A3, No. 3, pp . 1571-1572 (1985).

Smyth, K.C., Miller, J.H., Dorfman, R.C., Mallard, W.G. and Santoro, R.J.,

Soot inception in a methane/air diffusion flame as characterized by

detailed species profiles, Combustion and Flame, Vol. 62, pp. 157-181

(1985).

7. TALKS

Mattingly, G.E., Fluid Metering Research at NBS : New Research Tools and New

Opportunities, ISA 84 - Process Measurement and Control Division, Session

on Flow Measurement, Houston, TX, Oct. 23, 1984.

Mattingly, G.E., Fluid Measurement Research - Prospects for Progress,

Department of Mechanical Engineering, University of Houston, Houston, TX,

Oct. 23, 1984.

Mattingly, G.E., Liquid Flowrate Calibration Techniques, International

District Heating and Cooling Association (IDHCA) Workshop on District

Cooling Systems, Washington, DC, Nov. 20, 1984.

Mattingly, G.E., A New Strategy for Determining Flowmeter Installation

Specifications, ASME Research Committee on Fluid Metering, Winter Annual

Meeting, New Orleans, LA, Dec. 4, 1984.

- 122 -
Mattingly, G.E., Fluid Flow Measurement - Devices, Calibrations, and

Traceability, 1985 ASHRAE Winter Meeting, Chicago, IL, Jan. 27, 1985.

Mattingly, G.E., Flow Measurement - Devices, Calibrations, and Applications

for Nuclear Industries, Seminar Program, Department of Chemical

Engineering, Howard University, Washington, DC, Mar. 22, 1985.

Mattingly, G.E., Fundamentals of Flow Measurement, 31st International ISA

Symposium, San Diego, CA, May 7, 1985.

Mattingly, G.E., Fluid Metering Research at NBS - New Research Tools and New

Strategies, Flow Technology, Inc., Phoenix, AZ , May 8, 1985.

Mattingly, G.E., Air Flow Rate Measurements - Techniques, Calibrations, and

Traceability, Center for Manufacturing Research and Technology Utilization

and Department of Mechanical Engineering, Tennessee Tech. University,

Cookeville, TN, May 28, 1985.

Mattingly, G.E., Standards for Thermal Metering, 1985 Annual Meeting of the

International District Heating and Cooling Association (IDHCA)

,

Minneapolis, MN, June 18, 1985.

Mattingly, G.E., Volume Flow Measurements, Fluid Mechanics Measurements

Short Course, Department of Mechanical Engineering, University of

Minnesota, Minneapolis, MN, June 21, 1985.

Bryner, N.P. (Coauthor: R.V. Calabrese), A Facility to Study Drop Breakup

in the Vicinity of Simulated Mixer Elements, Mixing X, Engineering

Foundation Conference, Henniker, NH, Aug. 5, 1985.

Ghosh, A.K. (Coauthor: J.J. Ulbrecht) , Bubble Formation from Submerged

Orifices in Flowing Liquids, Mixing X, Engineering Foundation Conference,

Henniker, NH, Aug. 5, 1985.

Yuk, K.I. (Coauthor: J.J. Ulbrecht), Formation of Bubbles in Shear Flow

from a Gas Filled Cavity, Mixing X, Engineering Foundation Conference,

Henniker, NH, Aug. 5, 1985.

Calabrese, R.V. (Coauthor: P.D. Berkman) , Drop Size Distributions Produced

by Static Mixers, Mixing X, Engineering Foundation Conference, Henniker,

NH, Aug. 5, 1985.

Mattingly, G.E., Preliminary Results for a Vortex- Induced Liquid Handling

and Accountability Procedure at Zero Gravity, Helium Transfer in Space

Workshop, NBS, Boulder, CO, Aug. 19-21, 1985.

- 123 -
Mattingly, G.E., Flow Measurement Assurance Programs - Round Robin Testing

Strategies, Idaho National Engineering Laboratory, Idaho Falls, ID, Sept.

5, 1985.

Macek, A. , Optical Measurements of Char-Particle Temperatures and Radiant

Emissivities in Fluidized-Bed Combustors, 3rd International Fluidized

Conference, London, England, Oct. 16, 1984.

Horvath, J.J., Flame Temperature Measurements in Premixed and Diffusion

Flames by Collisional Redistribution of Laser Excited Levels, Sandia

National Lab - Combustion Research Facility, Livermore, CA, Oct. 25, 1984.

Davis. R.W.

,

Computer Simulations of Vortex Splitting and Vortex Merging

using Time-Dependent Finite Difference Codes, 37th Annual Meeting of the

Division of Fluid Dynamics, American Physical Society, Providence, RI

,

Nov. 18-20, 1984.

Ray, S.R. (Coauthor: R. Goulard), Optical Tomography in Combustion and

Meteorology, Workshop on Advances in Remote Sensing Retrieval Methods,

Williamsburg, VA, Oct. 30 - Nov. 2, 1984.

Semerjian, H.G., Soot Formation in Laminar Diffusion Flames, Seminar

presented at the Johns Hopkins University, Department of Chemical

Engineering, Baltimore, MD, Nov. 5, 1984.

Ray, S.R. (Coauthors: P.J. Emmerman and H.G. Semerjian), High Speed Laser

Tomography in Flames, International Conference on Lasers '84, San

Francisco, CA, Nov. 26-30, 1984.

Smyth, K.C. (Coauthors: J.H. Miller, W.G. Mallard and R.J. Santoro),

Detailed Structure Studies of a Laminar Methane/Air Diffusion Flame

I. Optical Measurements, presented at the Eastern Section Meeting: The

Combustion Institute, Clearwater, FL, Dec. 3-5, 1984.

Semerjian, H.G., Optical Sensing in Chemical Reactors, NBS Staff Research

Seminar, Gaithersburg, MD, Dec. 13, 1984.

Santoro, R.J., Particle Formation in Flames, NBS Staff Research Seminar,

Gaithersburg, MD, Dec. 20, 1984.

Preston, R.E., Laser Spectroscopy of Single Levitated Droplets, NBS Staff

Research Seminar, Gaithersburg, MD, Dec. 23, 1984.

Semerjian, H.G., Optical Diagnostics in Chemically Reacting Flows, Seminar

presented at Lehigh University, Biotechnology Research Center, Bethlehem,

PA, Jan. 25, 1985.

- 124 -
Santoro, R.J., Fuel Structure Effects on Soot Formation Processes, invited

presentation at the Particle Emission Technology Meeting, Naval

Postgraduate School, Monterey, CA, Apr. 16, 1985.

Lettieri, T.R. (Coauthors: R.E. Preston, H.G. Semerjian and S.R. Ray),

Elastic and Raman Scattering from Evaporating Levitated Droplets,

Sixteenth Annual Meeting of the Fine Particle Society, Miami, FL,

Apr. 22-26, 1985

Santoro, R.J. (Coauthor: H.G. Semerjian), Laser Light Scattering

Measurements of Soot Particles in Flames, Sixteenth Annual Meeting of the

Fine Particle Society, Miami, FL, Apr. 22-26, 1985.

Horvath, J.J. (Coauthor: H.G. Semerjian), Temperature Measurements in a Diffusion Flame using Thermally Assisted Fluorescence, Conference on Lasers and Electro-Optics, Baltimore, MD, May 21-24, 1985.

Santoro, R.J. (Coauthors: T.T. Yeh and H.G. Semerjian), Laser Light

Scattering Measurements of Soot Particles in Flames, Conference on Lasers

and Electro-Optics, Baltimore, MD, May 21-24, 1985.

Ray, S.R. (Coauthor: H.G. Semerjian), High Speed Laser Tomographic

Measurements in Fluctuating Flames, Conference on Lasers and ElectroOptics, Baltimore, MD , May 21-24, 1985.

Semerjian, H.G., Optical Techniques for Cell Activity and Concentration

Measurements, Workshop on Process Measurements for Biotechnology, NBS/CCE,

Gaithersburg, MD , May 29-30, 1985.

Semerjian, H.G. (Coauthors: C. Presser, A.K. Gupta and R.J. Santoro),

Droplet Size Measurements in a Swirling Kerosene Spray Flame by Laser

Light Scattering, International Conference on Liquid Atomization and Spray

Systems, London, England, July 8-10, 1985.

Ray, S.R., Laser Tomography Technique for Simultaneous Measurement of

Species Concentration and Temperature, Grumman Aerospace Corp., Bethpage,

NY, June 19, 1985.

Macek, A., Fundamental Studies of Black Liquor Combustion, DoE Contractor's

Meeting, Orono , ME, July 30, 1985.

Santoro, R.J. (Coauthors: T.T. Yeh and H.G. Semerjian), The Transport and

Growth of Soot Particles in Laminar Diffusion Flames, AIChE/ASME National

Heat Transfer Conference, Denver, CO, Aug. 4-7, 1985.

- 125 -
Macek, A., Characterization of Solids Mixing in a Laboratory-Scale Fluidized

Bed, DoE Advanced Research and Technology Development Conference,

Morgantown, WV , Aug. 14, 1985.

Davis, R.W. , Numerical Modeling of Unsteady Shear Flows, Computational

Aerodyamics Group, Wright-Patterson AFB, Dayton, OH, Sept. 1985.

Santoro, R.J., Soot Particle Formation Processes in Flames, Advanced Fuels

Research, Hartford, CT, Oct. 4, 1985.

Hasegawa, S., Some Performance Characteristics of Hygrometers for Energy

Management Control System Applications, ASHRAE Seminar, Chicago, IL, Jan.

27, 1985.

Hasegawa, S., National Basis of Accuracy in Humidity Measurements, Int ' 1

.

Symp . on Moisture and Humidity, Washington, D.C., Apr. 15, 1985.

Hasegawa, S. and Hurley, C.W., Humidity Sensors for HVAC Applications,

Recent Advances in Control and Operation of Building HVAC Systems, Int ' 1

.

Symp., Trondheim, Norway, May 23, 1985.

Cox, D.F. (Coauthor: Hoflund, G.B.), ELS Characterization of Tin Oxide

Surfaces, American Physical Society National Meeting, Baltimore, MD , Mar.

27, 1985.

Huang, P.H. and Whetstone, J.R., Evaluation of Relative Humidity Values for

Saturated Aqueous Salt Solutions Using Osmotic Coefficients between 50 and

100 C, Int ' 1 . Symp. on Moisture and Humidity, Washington, D.C., Apr. 16,

1985.

Huang, P.H., Electrical and Thermodynamic Characterization of Water

Vapor/Polymeric Film System for Humidity Sensing, Third Int ' 1 . Conf . on Sensors and Actuators, Philadelphia, PA, June 11, 1985.

Semancik, S. (Coauthors: Doering, D.L. and Madey, T.E.), The Interaction of

Water with Li-Predosed Ru(001) , 31st National Symposium of the American

Vacuum Society, Reno, NV, Dec. 5, 1984.

Semancik, S., An Overview of the Third International Conference on SolidState-Sensors, NBS/CCE, Chemical Process Metrology Div. Seminar,

Gaithersburg, MD , June 26, 1985.

Semancik, S. (Coauthor: Cox, D.F.), Factors Influencing the Chemistry of

Tin Oxide Surfaces, Third Int ' 1 . Conf. on Solid State Sensors and

Actuators, Philadelphia, PA, June 14, 1985.

- 126 -
Semancik, S., The Influence of Alkali Additives on H„0-Metal Interactions,

Gordon Conference on Chemistry at Interfaces, Meriden, NH, July 23, 1985.

Whetstone, J.R., Development of Basic Orifice Discharge Cofficients, 64th

Annual Gas Processors Association Conf . , Houston, TX, Mar. 18-20, 1985.

Whetstone, J.R., Development of Basic Orifice Discharge Coefficients,

Meeting of ISO Technical Committee 30, Subcommittee 5, Tokyo, Japan, Nov.

13, 1984.

8 . COMMITTEE MEMBERSHIPS AND EDITORSHIPS

COMMITTEE MEMBERSHIPS

J.J. Ulbrecht

National Research Council - Committee on Bioprocessing for the

Energy Efficient Production of Chemicals (Liaison Representative)

National Research Council - Bioengineering Systems Research Panel

(Liaison Representative)

AIChE National Programs Committee - Area 3a Mixing (Vice Chairman)

AIChE International Activities Committee (Member)

ASTM Biotechnology Committee (Member)

G. Kulin

ASTM D.19, Main Committee on Water (Member)

Task Group D19.03.03.02 on Velocity Measurements (Chairman)

Task Group D19.03.03.03 on Velocity-Area Methods (Chairman)

Task Group D19.03.03.08 on Measurement of Small Flows

(Chairman)

G.E. Mattingly

ASME (Main) Committee on the Measurement of Fluid Flow in Closed

Conduits (Member)

ASME SC-2, Pressure Differential Devices (Member)

ASME SC-6, Glossary of Terms for Flow Measurements (Chairman)

ASME SC-14, Measurement of Fluid Flow Using Gravimetric and

Volumetric Techniques (Chairman)

ASME SC-15, Committee on Vortex Shedding Type Flowmeters

(Chairman)

ASME SC-16, Committee on Installation Requirements for Orifice,

Venturi, and Nozzles (Member)

ASME (Main) Research Committee on Fluid Meters (Member)

- 127 -
ASME SC-11, Test Methods and Calculation Procedures (Chairman)

ASME Ad Hoc Committee on Flowmeter Installation-Effects Research

(Member)

International District Heating Association (IDHA) Fluid Metering

Committee (Member)

N.E. Mease

ASTM DO. 22, Methods of Sampling and Analysis of Atmospheres

(Member)

ASTM SC. 02, Methods of Sampling and Analysis (Member)

ASTM SC. 05, Calibration (Member)

ASTM SC. 11, Meteorological Measurement (Member)

A. Macek

Combustion Institute - 21st Symposium (International) on Combustion, Program Subcommittee (Member)

R.J. Santoro

Combustion Institute

21st Symposium (International) on Combustion

Program Subcommittee (Member)

Publications Committee (Member)

Eastern States Section - Papers Chairman

H.G. Semerjian

Combustion Institute

21st Symposium (International) on Combustion

Program Subcommittee (Member)

ASME Heat Transfer Division, K-ll Committee on Heat Transfer in

Fires and Combustion Systems (Member)

AIChE Engineering Sciences and Fundamental Group,

Area lb - Kinetics, Catalysis and Reactor Engineering (Member)

AIChE Food, Pharmaceutical and Bioengineering Division, Area 15C

Biotechnology (Member)

NBS Research Advisory Committee (Chairman)

- 128 -
S. Hasegawa

ASME PTC 19.18, Committee on Humidity Determination (Member)

ASTM D22, Sampling and Analysis of Atmospheres (Member)

ASTM D22.ll, Meteorology (Subcommittee Vice Chairman)

ASTM G3, Durability of Nonmetallic Materials (Member)

Program Committee, International Symposium on Moisture and

Humidity (Member)

K.G. Kreider

Advisory Panel, Center for Chemical Electronics, U. of PA (Member)

ASTM E20, Temperature (Member)

ASTM C30, Composite Materials (Member)

Program Committee, Int'l, Conf. on Solid State Transducers

(Member)

Steering Committee on 1985 Int'l. Symp . on Moisture and Humidity

(Member)

F. E. Jones

ANSI/INMM Writing Group on Tank Volume Calibration (Consultant)

EDITORSHIPS

G. E. Mattingly

International Journal of Heat and Fluid Flow (Editorial Advisory

Board)

A. Macek

Combustion Science and Technology (Editorial Advisory Board)

9 . PROFESSIONAL INTERACTIONS

FACULTY APPOINTMENTS

J.J. Ulbrecht

Adjunct Professor, Department of Chemical Engineering, University of

Maryland

.

- 129 -
INDUSTRY

K.R. Benson

Consultation with A. Johnson of Douglas Aircraft regarding mass vs. volume flow calibrators.

Consultation with R. Kim of Babcock & Wilcox regarding new gas flow

meter and calibration techniques.

Consultation with W. Scavuzzo of Eris Medical Technologies regarding

air flow rate for pulmonary function.

Consultation with K. Westerson of Cummins Engine regarding hydrometer

calibrations and use; effects of varnish build-up in glass tube

variable area meters.

Consultation with Mr. Beam of Krohne -America regarding standards for

correlating their new U.S. facility with the parent Dutch facility.

Consultation with Mr. Cassiole of U.S. Testing Co. regarding orifice

testing standards and techniques.

Consultation with J. Sawyers of CME, Inc. regarding calibration of

laminar transfer references for Saudi Arabia.

Consultation with P. Pringle of Max Machinery regarding correlation

using positive displacement flow meters.

Consultation with E. Uses of General Electric Co. regarding mass flow

meter correlation and calibration techniques for in-flight refueling.

Consultation with J. Kerwin of Lockheed-Lemsco regarding sonic nozzle

calibration and use as a transfer standard.

Consultation with D. Ruffner of Ametek regarding calibration of liquid

flow nozzles as a transfer standard for Saudi Arabia.

Consultation with W. Fling of Cities Service Oil & Gas regarding API

Orifice Tests.

Consultation with S. Caldwell of Colorado Engineering Experiment

Station regarding gas flow calibration with laminar meters and sonic

nozzles

.

Consultation with T. Kendzior of Pratt and Whitney regarding turbine

meter calibration and interlab correlation.

- 130 -
Cooperative research with R. Peele of Corning Glass Works regarding

nitrogen flow by characterizing laminar meter performance as a transfer

standard

.

Cooperative research with J. Bloom of Flo-Tron, Inc. regarding

ascertaining accuracy of new mass flow calibrator for hydrocarbon

liquids

.

Cooperative research with P. Twigg of Westinghouse Electric Corporation

regarding ascertaining accuracy of laminar flow with nitrogen for AWAC

aircraft

.

Cooperative research with R. Shafer of Aberdeen Proving Ground

regarding a leakage rate standard for gas mask valves.

A.K. Gaigalas

Collaboration with Institute of Paper Chemistry, Appleton, VI, for

testing of pulp consistency meter in the IPC pulp loop.

G.E. Mattingly

Consultation with B. Kamentser and C. Watson of ITT-Barton on theories

for vortex shedding flow meter flowfields.

Consultation with P. Brooks of United McGill Corporation regarding

design considerations for special "in-situ" flowmeter proving device.

Consultation with M. Miller of Talley Defense Systems regarding design

and construction of low air flow calibration facility.

Consultation with C. Vaughn and G. Mallet of General Electric regarding

in-situ flow meter calibrations.

Consultation with J.A. Hicks of American Gas Association regarding

Conference on Flow Measurement scheduled for November 1986.

Consultation with M. Reischman (ONR) , G. Lea (NSF) , J. Hanson and E. Hendricks (NRL) , and S. Deutsch and C. Merkle (Pennsylvania State

University) on NBS water tunnel research.

Consultation with G. Bankoff, Department of Chemical Engineering,

Northwestern University, on two-phase flow research in the NBS water

tunnel

.

Consultation with ASME ' s two committees on fluid metering - MFFCC and

the Research Committee for Fluid Metering, on the NBS slurry flow loop

- 131 -
Consultation with L.P. Purtell, USN - DTNSRDC, on wind tunnel testing

programs to measure separated flow on submarine hulls.

N.E. Mease

Consultation with E. Brady of General Dynamics, Convair Division,

regarding special instrument calibration for FAA and performance

specification of General Dynamics wind tunnel.

Consultation with D. Bevan of Boeing/Vertol regarding special

calibration test on wind tunnel instruments.

Consultation with R. Roberge, Environmental Instruments, Inc.,

regarding specialized product testing and generation of basis for

military bid certification.

Consultation with F. Hagen, Rosemount, Inc., regarding specialized

product testing and generation of basis for military bid certification.

Consultation with D. Mahoney, Freedona Development Co., regarding

measurements of compressed air flow.

B. Robertson

Consultations with a group of vortex- shedding flowmeter manufacturers

and users.

S.R. Charagundla

Collaboration with P. Ariessohn, Weyerhaeuser Co., on emission

measurements in recovery boilers.

Collaboration with R. Barrels and D. Smiley of Champion International

on emission measurements in recovery boilers.

A. Macek

Cooperative work with R. Corbeels of Texaco Research on combustion of

coke particles in fluidized beds.

A. Macek and H.G. Semerjian

Collaboration with R. Coates of Mountain Fuel Resources on diagnostics

in high pressure entrained flow gasifiers.

- 132 -
Collaboration with E. McHale and M. King, Atlantic Research Corp . , on slurry combustion.

S.R. Ray

Consultations with R. Oman of Grumman Aerospace on application of laser

tomography for diagnostics in gas turbine engine plumes.

R.J. Santoro and S. Semancik

Consultation with T. Baker of Exxon Research on coke formation on catalytic surfaces.

R.J. Santoro and H.G. Semerjian

Collaboration with S. Harris, General Motors Research Laboratories, on soot particle nucleation.

R. J. Santoro and H.G. Semerjian

Collaboration with P. Solomon of Advanced Fuel Research on temperature

measurements in diffusion flames.

H.G. Semerjian and S.R. Ray

Collaboration with P. Solomon of Advanced Fuel Research on laser

tomography

.

H.G. Semerjian

Consultation with J.D. Jobe and T. Schmidt of Shell Development on measurements in high temperature reactors.

Consultations with P. Girling of Air Products Company on temperature

measurements in CVD furnaces.

Consultations with R. Seeker of Energy and Environment Research on combustion of hazardous wastes.

S. Hasegawa

Consultation with J. Steichen of DuPont on low humidity generator.

Consultation with G. Turk and F. Mermoud, Liquid Air - U.S. and France,

on low humidity measurements, generation, and calibration.

- 133 -
Consultation with J. Pernicka of Pernicka Corporation on humidity

measurements and standards which are applicable for semiconductor

packages

.

Consultation with L. Woody of Bell South and G. Truesdale of Raychem on measurement and control of humidity in telephone pedestals.

F.E. Jones

Consultation with DuPont staff on tank volume calibration.

ACADEME. NATIONAL LABORATORIES. AND GOVERNMENT

K.R. Benson

Consultation with D. Todd of the North Island (CA) Naval Air Station

regarding bell-prover volume vs. dynamic errors, and laminar meter and

sonic nozzle transfer standards.

Consultation with H. Stump, NASA Langley Research Center, regarding

mass flow of gas/liquid two phase flow for space station.

Consultation with V. van der Pluym of South African Bureau of

Standards, Pretoria, regarding calibration laboratory for large water

pumps

.

Consultation with H. Whitzel of U.S. Naval Ship Research and

Development Center regarding ultrasonic flow meters for secondary insitu calibration for nuclear submarine applications.

Cooperative research with A. Szilvassy, National Office of Measures,

Budapest, Hungary, regarding turbine meter use in standard transfer

correlation

.

A.K. Gaigalas

Collaborative research initiated with R.V. Calabrese of the University

of Maryland on ultrasound techniques for cell concentration

measurement

.

G. Kulin

Served on National Science Foundation sub-panel for evaluation of

engineering-center proposals, Nov. 8-9, 1985.

- 134 -
S. Semancik

Served on National Science Foundation Evaluation Panel on Catalysis.

G.E. Mattingly

Cooperative research with A. Szilvassy, National Office of Measures,

Budapest, Hungary, on NBS-Gaithersburg metering cross-check program,

Sept. 23-30, 1985.

Consultation with J.M. Hobbs of NEL/UK on NBS-Gaithersburg orifice

metering cross-check program.

Consultation with R.C. Mottram, University of Surrey, Guildford, UK, on pulsation effects on flowmeters.

Consultation with K. Yoshida, National Research Laboratory of

Metrology, Japan, on Flowmeter Calibration Techniques and

Interlaboratory Testing.

Consultation with P. Fahlen of National Testing Institute, Sweden, on flow measurements for heat pump systems.

Consultation with A.B. Chesnoy and R. Quin, Total, France, and M.J.

Bosio and K. Killerud, Statoil, Norway, on petroleum proving techniques

and design of planned station for North Sea Products.

Consultation with Y.P. Lin, Taiwan Institute of Standards on flow

measurement standards.

Consultation with G. Liu, Taiwanese Coord. Council for North American

Affairs, regarding flow measurement standards, calibration facilities,

and traceability.

Consultation with J.S. Bodner, Scientific and Technical Affairs

Officer, American Embassy, Budapest, regarding flow measurement

capabilities at NBS-Gaithersburg.

Consultation with N.A. Khan, Pakistani Council for Scientific and

Industrial Research, on fluid measurement calibration and research

facilities

.

Consultation with P. Wolfs, N.V. Nederlandse Gas Unie, regarding gas

flow rate measurement techniques and research tools.

- 135 -
Consultation with G. Maoxiang, China Ship Scientific Research Center,

Shanghai, regarding vortex shedding flow meter and flow meter

installations-effects research at NBS-Gaithersburg

.

Consultation with J. Smid, N.V. Nederlandse Gas Unie, regarding

flowmeter installations-effects research.

Consultation with D. Smith of NEL/UK regarding NEL-NBS orifice cross- check program.

Consultation with N. Veloz of the U.S. National Park Service on twophase (walnut shells in air) flow measurement for use in cleaning

statues

.

Consultation with K. Biss, Bergen County (NJ) Prosecutor's Office,

regarding assessment of flowmetering unit involved in a fatal fire.

N.E. Mease

Consultation with A. Cohen of U.S. Bureau of Mines on the effects of

turbulence on mean speed anemometer indications.

Consultation with B. Mahajan of the NBS/CBT Building Equipment Division

on specialized calibrations for instruments for ventilation research.

Collaborative research with E. Simiu of the NBS/CBT Structures Division

on measurements to specify wind-based aeroelastic loadings on structures

.

Consultation with W. Saric of Arizona State University on the

characteristics of fluctuating flows in wind tunnels.

B. Robertson

Collaboration with B. Tribollet of the Centre National de la Recherche

Scientif ique , Paris, France, on experimental electrochemical techniques

for measuring mass transfer and shear stress in liquids.

Consultation with C. Deslouis of the Centre National de la Recherche

Scientif ique , Paris, France, on theory of diffusion measurements by

electrochemical means.

Consultation with A.E. Humphrey of Lehigh University on diffusion

measurement in gels and shear rate measurement in broths.

Consultation with R.V. Calabrese of University of Maryland on shear

rate measurements on stirrer blade in mixing tanks.

- 136 -
J.R. Whetstone

Collaboration with D.S. Loebbaka of the University of Tennessee

(Martin) on X-ray tomography for slurry flow solid fraction

measurements

.

S.R. Charagundla

Consultations with G.L. Pellett of NASA Langley Research Center on microencapsulation technology.

Collaborative effort initiated with B. Northram of NASA Langley

Research Center on fiber optics sensing techniques.

R.W. Davis

Collaboration with M. Kurosaka of MIT, Department of Aeronautics and

Astronautics, on computation of massless particle paths through bluff

body wakes for comparison with his experimental data for

turbomachinery

.

Consultation with C.A.J. Fletcher, University of Sydney, Department of

Mechanical Engineering, Sydney, Australia, on computation of vortex

shedding from square cylinders, which will be included in a forthcoming

book

.

R.W. Davis and R.J. Santoro

Collaborative research with H. Baum of the NBS Center for Fire Research

on numerical modeling of chemically reacting flows.

J.J. Horvath

Consultation with C. Proctor of University of Florida on thermally

assisted fluorescence measurements.

Consultation with W. Lempert of NASA Langley Research Center on laserexcited fluorescence techniques for temperature measurements in scram

jets .

Consultation with J. Dec of Sandia National Laboratories on temperature

measurements in a pulsed combustor.

Consultation with S. Weeks of Ames Laboratory, Iowa State University,

on ultrasonic nebulization of liquids.

- 137 -
A. Macek

Collaborative research with W. Liggett of the NBS Center for Applied

Mathematics on statistical analysis of mixing processes in fluidizing

beds

.

Collaborative research initiated with D. Smoot of Brigham Young

University, Chemical Engineering Department, on diagnostics in

entrained flow gasifiers.

Collaborative research with D. Shaw of Ohio State University on mixing

studies in fluidized beds.

Planning of cooperative DoE/NBS projects with DoE Morgantown Energy

Technology Center on coal gasifier diagnostics; discussions of on-going

and future fluid-bed measurements.

C. Presser and H.G. Semerjian

Collaborative research with A. Gupta of University of Maryland on diagnostics in spray flames.

S.R. Ray

Collaborative research with D. Orser of the NBS Center for Applied

Mathematics on three-dimensional graphics for laser tomography.

S.R. Ray and H.G. Semerjian

Collaborative research with R. Goulard of George Washington University

on laser tomography.

R.J. Santoro and H. G. Semerjian

Cooperative research with R.A. Dobbins of Brown University on interpretation of optical measurements of particles in flames.

Collaborative research with H. Hayasaka of Hokkaido University, Japan, on studies of temperature effects on soot formation processes.

Collaborative research with K. Smyth and W.G. Mallard of the NBS Center

for Fire Research on particle formation in high temperature reacting

flows

.

Cooperative research with D. Santavicca of Pennsylvania State

University on Raman temperature measurements in particle laden flames.

- 138 -
H.G. Semerjian

Collaborative research being developed with J. Gentry of University of

Maryland on investigation of levitated droplets.

Consultations with V. Hlavacek of State University of New York (at

Buffalo) on heterogeneous reactions and chemical vapor deposition.

Collaborative research with S. Sikdar of the NBS Center for Chemical

Engineering (Boulder) on concentration measurements in bioseparation

systems

.

Consultations with P. Ostrowski of Naval Surface Weapons Center on diagnostics in liquid spray systems.

H.G. Semerjian and J.J. Horvath

Collaborative research initiated with A.E. Humphrey and J. Phillips of

Lehigh University on optical sensing in bioreactors.

H.G. Semerjian and A. Macek

Cooperative research with D. Clay of the Institute of Paper Chemistry

on black liquor combustion and pyrolysis.

Cooperative research initiated with I. Stockel of University of Maine

on droplet formation and black liquor combustion.

H.G. Semerjian and C. Presser

Cooperative work with J. Bellan and M. Clayton of JPL on diagnostics

and modeling in spray combustion.

Cooperative research with D. Butler of Los Alamos Scientific

Laboratories on modeling of spray flames.

Cooperative research being developed with J.Katz of Johns Hopkins

University on temperature and particle measurements in high temperature

reacting flows.

Consultations with R. Chawla of Howard University on combustion of

hazardous wastes.

- 139 -
S. Hasegawa

Collaboration with staff of EG&G-Idaho and W. Gamill of Nuclear

Regulatory Commission on generation and measurement of high humidity at

elevated temperatures.

Consultation with J. Facundo of National Weather Service on specifications for testing radiosonde humidity sensors.

Consultation with R. Wylie of CSIRO (Australia) on the World

Meteorological Organization's standard hygrometer.

Consultation with Y. Dazhi of Chang Chun Meteorologial Instrument

Institute (China) on humidity generators.

F.E. Jones

Collaboration with B.E. Welch of the NBS Center for Basic Standards on improvement of pressure standards at the ppm level.

Consultant to the ANSI/INMM Writing Group on tank volume calibration.

S. Semancik

Collaboration with Professor D.L. Doering, Department of Physics,

University of Florida, on coabsorption of Li and ^0 on Ru.

Collaboraton with T.E. Madey, NBS Surface Science Division on the

effects of additives on surface reactions.

10. CONFERENCES. WORKSHOPS. AND SEMINARS

CONFERENCES

Session on Fluid Measurements for Thermal Metering; International District

Heating and Cooling Association (IDHCA) Workshop on District Cooling

Systems, Washington, DC, Nov. 19-20, 1984. Co-chaired by G.E. Mattingly.

WORKSHOPS

Hosted industry-government consortium meeting on Vortex Shedding Flowmeter

Research at NBS, Gaithersburg, MD, Mar. 28, 1985. Organized by G.E.

Mattingly

.

Hosted industry-government workshop on Flowmeter Installation, Gaithersburg,

MD, Apr. 22, 1985. Organized by G.E. Mattingly.

- 140 -
Hosted workshop on On-Line Measurement of Rheological Properties,

Gaithersburg, MD , May 2-3, 1985. Organized by J.J. Ulbrecht.

Hosted workshop on Process Measurements for Biotechnology, Gaithersburg, MD

,

May 29-30, 1985. Organized by J.J. Ulbrecht.

Cosponsored workshop on Standardization Problems in the Design and Scale

Translation of Bioreactors, held at Lehigh University, Bethlehem, PA, June

17-18, 1985. Organized by J.J. Ulbrecht and A.E. Humphrey.

Hosted NBS-DOE workshop on Two-Phase Flow Fundamentals, Gaithersburg, MD

,

Sept. 22-27, 1985. Organized by G.E. Mattingly.

Hosted workshop on Heat Meters (jointly with DOE and the International

Energy Agency), Jan. 31-Feb. 1, 1985. Organized by G.E. Mattingly.

Session on Fluid Meters at ASME Winter Annual Meeting, New Orleans, LA, Dec.

9-14, 1984. Chaired by G.E. Mattingly.

NBS Staff Research Symposium on Aerosol/Particle Research, NBS

,

Gaithersburg, MD , Dec. 20, 1984. Organized and chaired by H.G. Semerjian.

SEMINARS

T. Papanastasiou , Department of Chemical Engineering and Materials Science,

University of Michigan, Ann Arbor, MI: Modeling of Viscoelastic Flow,

Dec. 12, 1984.

A.E. Humphrey, Center for Biotechnology Research, Lehigh University,

Bethlehem, PA: Modelling and Design of Bioreactors, Oct. 4, 1984.

J.A. Phillips, Center for Biotechnology Research, Lehigh University,

Bethlehem, PA: Problems in Monitoring Bioreactor Systems, Oct. 4, 1984.

T. Lindt, Department of Metallurgical and Materials Science, University of

Pittsburgh, PA: Interaction Between Polymerization and Flow in Reactive

Processing of Polymers, Mar. 20, 1985.

G.B. Tatterson, Department of Chemical

College Station, TX: Sound Spectra of

Apr. 12, 1985.

G.B. Tatterson, Department of Chemical

College Station, TX: Image Processing

Apr. 12, 1985.

Engineering, Texas A&M University,

Gas Dispersion in Agitated Tanks,

Engineering, Texas A&M University,

of Flow Visualization Films,

- 141 -
J. Wu, College of Marine Studies and Department of Civil Engineering,

University of Delaware, Newark, DE: Two Phase Flow Measurement Techniques - Development and Use for Liquid Droplets in Gases and Bubbles in Liquids,

Apr. 19, 1985.

C. Deslouis, Physique des Liquides et Electrochimie , Associe a l'Universite

Pierre et Marie Curie, Paris, France: Transport Properties in Flowing

Fluids by Electrohydrodynamic and Diffusion Impedances, May 20, 1985.

M. Lessen, University of Rochester, Rochester, NY: Instability and

Turbulent Mixing in Jets and Other Geometries, May 23, 1985.

J.M. Hobbs, National Engineering Laboratory, East Kilbride, Glasgow,

Scotland: Flow Measurement at NEL (U.K.): Calibrations, Research, and

Traceability, May 28, 1985.

M.E. Ryan, Department of Chemical Engineering, State University of New York,

Buffalo, NY: Melt Deformation and Heat Transfer in Injection Blow Molding,

June 21, 1985.

G. Andrews, Department of Chemical Engineering, State University of New York

at Buffalo, Buffalo, NY: Fluidized Bed Fermenters: Effect of Rheology on Design, July 10, 1985.

R.C. Mottram, Department of Mechanical Engineering, University of Surrey,

England: Pulsation Effects on Vortex Meters, Aug. 9, 1985.

F.J. Bonner, Department of Chemical Engineering, Vanderbilt University,

Nashville, TN : The Effect of Ultrasound on Suspension Polymers,

Aug. 15, 1985.

X.B. Reed, Department of Chemical Engineering, University of Missouri-Rolla

,

Rolla, MO: Turbulence in Two-Phase and Chemically Reacting Systems,

Aug. 27, 1985.

A.E. Humphrey and J.A. Phillips, Center for Biotechnology Research, Lehigh

University, Bethlehem, PA: A Short Course on Bioreactor Design and

Instrumentation, Twelve Lectures, Sept. 4, 18, Oct. 2, 16,

Nov. 6, 20, 1985.

P.R. Solomon, Advanced Fuel Research, Inc., E. Hartford, CT : Measurement of

Particle, Soot and Gas Temperature in Combustion using FTIR, Oct. 22, 1984.

V. Hlavacek, Chemical Engineering Department, State University of New York

at Buffalo, Amherst, NY: High Temperature Self Propagating Synthesis of

Refractory Materials, Nov. 20, 1984.

- 142 -
A. Gomex, Department of Mechanical and Aerospace Engineering, Princeton

University, Princeton, NJ : Comparative Study of the Sooting Behavior of an Aromatic vs. Aliphatic in Diffusion Flames, Mar. 7, 1985.

K.F. Wall, Applied Physics Department, Yale University, New Haven, CT : Low

Frequency Light Scattering from Roughened Silver Surfaces, Mar. 11, 1985.

S.L. Chung, Chemical Engineering Department, The Johns Hopkins University,

Baltimore, MD : The Counterflow Diffusion Flame Burner: A New Tool for the

Study of the Nucleation of Refractory Compounds, Mar. 14, 1985.

R. Joklik, Mechanical Engineering Department, University of California,

Berkeley, CA: A Spectroscopic Study of the CH Radical in a Low Pressure

Oxy/Acetylene Flame, May 31, 1985.

R.W. Pitz, General Electric Research and Development Center, Schenectady,

NY: Laser Measurements in Jet Diffusion Flames, June 14, 1985.

W. Bartok, Exxon Research and Engineering Co., Annandale, NJ : Formation of

Soot and its Precursors in Diffusion Flames, July 11, 1985.

Y. Tambour, Department of Aeronautical Engineering, Technion- Israel

Institute of Technology, Haifa, Israel: A Lagrangian Sectional Approach for

Simulating Droplet Size Distribution of Vaporizing Fuel Sprays in a Turbulent Jet, Sept. 20, 1985.

- 143 -
U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET (See instructions)

1. PUBLICATION OR

REPORT NO.

NBSIR 85-3039

2. Performing Organ. Report No. 3. Publication Date February 1986

4. TITLE AND SUBTITLE

CENTER FOR CHEMICAL ENGINEERING TECHNICAL ACTIVITIES: FISCAL YEAR 1985

5. AUTHOR(S)

J. Bord. Editor

6. PERFORMING ORGANIZATION (If joint or other thon NBS. see in struction s)

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE

WASHINGTON, D.C. 20234

7. Contract/Grant No.

S. Type of Report & Period Covered

Res . Summary

(10-84 to 09-85)

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State , ZIP)

10.

SUPPLEMENTARY NOTES

1 | Document describes a computer program; SF-185, FIPS Software Summary, is attached.

11.

ABSTRACT (A 200-word or less factual summary of most significant information. If document includes a significant

bibliography or literature survey, mention it here)

Technical research activities performed by the Center

for Chemical Engineering during the Fiscal Year 1985 are summarized herein. These activities fall within

the general categories of process measurement,

thermophysical properties data, and chemical

engineering science. They embody: development and

improvement of measurement principles, measurement

standards, and calibration services such as volumetric

and mass flow rates, liquid volume, liquid density, and

humidity; generation (via accurate measurement and

advanced predictive models) of reliable reference data

for thermophysical properties of pure fluids, fluid

mixtures, and solids of vital Interest to industry; and

development of improved correlations, models, and

measurement techniques for complex flows, heat and mass

transport, mixing, and chemically reacting flows of

interest in modem unit operations.

12.

KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

chemical engineering; data; fluid mechanics; fluid properties; process measurement,

research; sensors; separations; solid properties; thermophysics; unit operations.

13.

AVAILABILITY

lXXl Uni i mi ted

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| | Order From Superintendent of Documents, U.S. Government Printing Office, Washington, D.C.

20402.

P&i Order From National Technical Information Service (NTIS), Springfield, VA. 22161

14. NO. OF

PRINTED PAGES

160

15. Price

U.S. GOVERNMENT PRINTING OFFICE:1986— 677-214/45072 USCOMM-DC 6043-P80