NBS

PUBLICATIONS

NBSIR

86-3059

Center for Chemical Engineering

Technical Activities: Fiscal Year 1986

HUNK 1

_ .... _ .

February 1987

National Engineering Laboratory

National Bureau of Standards

U.S. Department of Commerce

Boulder, Colorado 80303

NBSIR

86-3059

Center for Chemical Engineering

Technical Activities: Fiscal Year 1986NBS

RESEARCH

information CENTER

J. Hord, Editor ho/*<*-£>**

im

try

February 1987

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 25-26, 1987

Boulder, Colorado

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

Retired, Research and Development

Phillips Petroleum Company

Rt. 3, Box 403AA

Bartlesville, OK 74003

Professor James E. Bailey

Department of Chemical Engineering 206-41 California Institute of Technology

Pasadena, CA 91125

Dr. Beverly J. Berger

Director, Biofuels and Municipal

Waste Technology Division

U.S. Dept, of Energy

Washington, DC 20545

Dr. Stuart W. Churchill

The Carl V.S. Patterson Professor

of Chemical Engineering

University of Pennsylvania

311A Towne Building

220 South 33rd Street

Philadelphia, PA 19104

Dr. Edward L. Cussler

Chemical Engineering and Materials Science Department

University of Minnesota

421 Washington Avenue, S.E. Minneapolis, MN 55455

Dr. Robert R. Dorsch

Manager, Biotechnology Development

CR&D Dept.

Barleymill Plaza, P18-2176

E.I. du Pont de Nemours & Company

Wilmington, DE 19898

Dr. Walter E. Goldstein

Vice President

Research and Development

Biotechnology Group

Miles Labs Inc.

P.0. Box 932 Elkhart, IN 46515

Dr. Douglas E. Leng

Research Scientist & Lab Director

The Dow Chemical Company

CR/Engineering Research Lab. 1776 Building

Midland, MI 48674

Dr. Marshall M. Lih

Division Director

Chemical, Biochemical &

Thermal Engineering

National Science Foundation

1800 G. Street, N.W. Washington, DC 20550

Dr. Stanley I. Sandler

Chairman

Department of Chemical Engineering

University of Delaware

Newark, DE 19716

* Dr. William R. Schowalter

Chairman

Department of Chemical Engineering

Princeton University

Princeton, NJ 08540

Dr. Charles D. Scott Research Fellow

Chemical Technology Division

Martin Marietta Energy Systems

Oak Ridge National Laboratory

P.O. Box X

Oak Ridge, TN 37831

Dr. Albert S. Tenney, III Market Manager

Leeds and Northrup Company

Sumneytown Pike

North Wales, PA 19454

Dr. M. Stanley Whittingham

Director, Physical Sciences

Schlumberger-Doll Research

Old Quarry Road, P.O. Box 307 Ridgefield, CT 06877-4108

- iii-

*CHAIRMAN
Technical research activities performed by the Center

for Chemical Engineering during the Fiscal Year 1986

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 measurements 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 1986 (October 1, 1985 through

September 30, 1986). 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 introductory 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, biochemical, petroleum, gas, energy, food and drug, paper,

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 innovation as well as improved

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 vi

ORGANIZATION OF THE CENTER FOR CHEMICAL ENGINEERING vii

CHEMICAL ENGINEERING SCIENCE DIVISION ORGANIZATION CHART viii

THERMOPHYSICS DIVISION ORGANIZATION CHART ix

CHEMICAL PROCESS METROLOGY DIVISION ORGANIZATION CHART x MISSION OF THE NATIONAL BUREAU OF STANDARDS xi

TECHNICAL ACTIVITIES OF THE

CHEMICAL ENGINEERING SCIENCE DIVISION

1. Introduction 1 2. Goal 2 3. Group Functions 3 4. Selected Project Summaries 3 5. Honors and Awards 10

6. Publications 10

7. Talks 12

8. Committee Memberships and Editorships 13

9. Professional Interactions 18

10. Conferences, Workshops, and Seminars 23

TECHNICAL ACTIVITIES OF THE

THERMOPHYSICS DIVISION

1. Introduction 25

2. Goal 26

3. Group and Program Functions 26

4. Selected Project Summaries 27

5. Honors and Awards 39

6. Publications 39

7. Talks 47

8. Committee Memberships and Editorships 51

9. Professional Interactions 54

10. Conferences, Workshops, and Seminars 61

TECHNICAL ACTIVITIES OF THE

CHEMICAL PROCESS METROLOGY DIVISION

1. Introduction 64

2. Goal

3. Group Functions 66

4. Selected Project Summaries 67

5. Honors and Awards

6. Publications

7 . Talks

8. Committee Memberships and Editorships

9. Professional Interactions

10. Conferences, Workshops, and Seminars

-v-
ORGANIZATION OF THE NATIONAL BUREAU OF STANDARDS

Applied Mathematics Ceramics Programming Science Basic Standards Electronics & Electrical Fracture & Deformation and Technology Radiation Research Engineering Polymers Computer Systems Chemical Physics

Manufacturing Engr’g. Metallurgy Engineering Analytical Chemistry

Building Technology Reactor Radiation

Fire Research

Chemical Engineering

-VI-
ORGANIZATION OF THE CENTER FOR CHEMICAL ENGINEERING

Transport Processes

1 1

1 1

1 1

| - Equation of State & Fluid Flow

(S. Sikdar) Statistical Physics (G. Mattingly)

(J. Levelt Sengers)

1 - System Dynamics 1 1 Multiphase Reacting Flow

(M. Hiza) | - *Properties of Fluids i (A. Gaigalas)

| (W. Haynes) |

1 - Properties of Solids 1 1 High Temperature Reacting Flow

(L. Sparks) 1 1

1 1

(H. Semerjian)

1 1

1 1 Process Sensing

1 1 (J. Whetstone)

’Located in Boulder
V. Arp J.

B. Bateman

S. Bischkef

A. Bunged

B. Dale**

D. Daney

S. Drew"

P. Fulghum***

P. Giarratano

P. Glugla**

E. Grosgogeat*

M. Jin*

M. Jones

A. Kirkkopru*

J. Koster*

B. Louieff

J. MacFarlane***

R. Noble

R. Perkins

L. Powersff

D. Reedfff

S. Sawant*

M. Scurry***

S. Selim*

G. Slaff

D. Steward***

J. Wagner***

J . Way

J. Welch

Brennan P. Billiard***

Kneebone P. Bradley***

Ludtke J. Bransford

McManus J. Callanan

Miller** W. Dube

Sappt B. Filla

Siegwarth J. Hurley

Sindt J. Hust Voth K. McDermott

M. Moore***

J. Holmesff

j

J. O'Keefe***

R. Radebaugh

A. Slifka**

D. Smith**

P. Storch*

K. Styskal***

I. Vazquez

Contracted

C.

P.S.R.

J.

J.C.

R.

Services

W. Steward

W. Bjorkland

D . Mann

* NBS Fellow

** University Faculty Appointment

** COOP - Cooperative Student Program

*** Student "Q” Appt.

# National Research Council Postdoctoral Fellow

Guest Worker

IPA - Intergovernmental Personnel Act

IRA - Industrial Research Associate

f FIT - Full Time Temporary

ft PT Part Time

ttt WAE - Intermittent (When Actually Employed)

-viii-
DYNAMIC MEASUREMENTS

A. Cezairliyan

A. Miiller

L. Schmid*

J. Sengersftf

COMPLEX FLUIDS

H. Hanley#

Services Contracted

G. Foley

*N. Frederick

J . Amar#

P. Basu*

R. Bergf

R. Chang

E. Clark

H. Davis

J. Dorfman##

J. Gallager

J. Hubbard

R. Kayser

J. Kestin##

M. Klein*

R. MacDonaldff

J. Manley***

0. Manley*

M. Moldover

G. Morrison

R. Mountain#

J. Rasaiah*

J. Schmidt

B. Taggert*

L. Weber

J. White*

*Located in Boulder

# NBS Fellow

## University Faculty Appointment

** COOP - Cooperative Student Program

*** Student "Q" Appt.

# National Research Council

Postdoctoral Fellow

Guest Worker

IPA - Intergovernmental Personnel Act

IRA - Industrial Research Associate

t FTT - Full Time Temporary

ff PT Part Time

tff WAE - Intermittent (When Actually Employed)

T. Bruno

C. De Castro*

D. Diller

J. Ely

J. Flanigan***

J. Foxft

D. Friend

R. Goodwin*

M. Huber#

H. Inghamf

A. Kidnayff

N. Lynch***

J. Magee

J. Mayrath

R. McCarty

L. Ottero***

M. Paulaitis##

J. Rainwater

J. Roder

J. Schroeder***

E. Sloan##

G. Straty

L. Van Poolen*

H. Woolley*

T. Waldorf

f

F. Williamson

B. Younglove

-IX-
G.

K.

P.J.E.

P.N.

J.W.

G.K.

T.

Baumgarten R. Calabrese” J. Allen Benson W. Cleveland N. Amin

Espina-Arroyo*** C. Gingrich" K. Brownf Hall J. Houser M. Carrier

f

Hendricks" G. Rulin' R. Charagundla

Klebanoff

K. Lofquist" D. Chinf Mease P. Purtell” R. Davis

Melvin B. Robertson M. Glover

Rowland" B. Sadoff" A. Gupta##

Schubauer

S. Woo J. Horvath

Tidstrom" K. Yuk" J. Katz**

Yeh A. Macek

E. Moorefff

A. Nafee°

J. Penabad***

G. Presser

R. Schaerf1***

B . Shomaker

N. Spearsfff

Services Contracted

V. Hlavacek

# NBS Fellow

## University Faculty Appointment

** COOP - Cooperative Student Program

*** Student "Q" Appt.

# National Research Council Postdoctoral

Fellow

Guest Worker

o o IPA - Intergovernmental Personnel Act

o o o IRA - Industrial Research Associate

t FIT - Full Time Temporary

tt PI - Part Time

ttt WAE - Intermittent (When Actually Employed)

GL-Group Leader

PROCESS SENSING

J. Whetstone. GL

J. Erickson#

T. Fryberger#

S. Hasegawa

P. Huang

F. Jones

K. Kreider

F . Myhr***

J. Richmond"

G. Scace

S. Semanick

-X-
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 subsequent revisions, and through numerous 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

.

-xi-
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

.

-xii-
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 and related industries, 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-predic tive

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.

-xiii-
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.

-xiv-
TECHNICAL ACTIVITIES

OF THE

CHEMICAL ENGINEERING SCIENCE DIVISION

V.N. Schrodt, Chief

1. INTRODUCTION

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

biochemical, petrochemical, petroleum, gas and other processing industries are strongly dependent on reliable engineering data and well-documented characteri

zation of process mechanisms. Efficient design and operation enable U.S.

industry to compete more effectively in the world marketplace, where intense

international competition has focused efforts to improve manufacturing equipment and processes. Furthermore, an increased emphasis on environmental

protection has created a need for alternative processes operating with closer

tolerances, emphasizing higher yields and internal recycling with separation,

so that fewer pollutants are produced. The development of accurate process

models, for the design of the newer and more unconventional plants and to

improve conventional ones, requires reliable and well documented process

characteristics as well as accurate models for the transport operations and

dynamics represented within these industrial processes. The work of the

Chemical Engineering Science Division is focused on providing the knowledge

and understanding needed for the elemental processes, and on advancing the

state of the art for transport phenomena models and theory. The key ingredients are: laboratory determination of elemental process mechanisms and charac

teristics, theoretically based predictive models for subprocesses involving

and using complex fluids and solids, and analysis of the dynamics of engineering systems. In addition to contributions related to process design and

operation, the work of the Division is 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 strong collaboration with the Thermophysics Division to integrate fluid and solids properties with process mechanisms and models, 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 explored.

One of the primary focuses of research in the Division is on industries

related to the new biotechnology. For the most part, a thorough and quantitative understanding of the behavior of separation factors and transport mechanisms of these new biochemical systems does not presently exist, especially as these relate to products created by genetic engineering. The complexity of

the phenomena involved, and the vast array of products and processes encountered, precludes the possibility of a purely experimental or correlative

approach. The approach must be one which includes experiment, theory, and

evaluation so as to yield accurate process and related transport phenomena,

and facilitates the development of generic predictive models that are applicable to a broad range of biosubstances. The theoretical effort will break

new ground in understanding separations at the molecular level, phase equilibria involving multiple phases, biological system behavior, heat and mass

transfer, and other unit operations. Experimental efforts include membrane

1
separations of amino acids and two-phase aqueous extractions. Other extensions of the state of the art in separation technology are anticipated in the

Division's long range plans.

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

the flow of fluids such as natural gas, selected fluid mixtures, and cryogens.

Standard Reference Materials are developed for selected thermal properties of

certain solid materials of interest to the chemical and related industries.

The majority of the effort is directed toward problems of the future. These

include, but are not restricted to: 1) transport processes related to the

efficient use of gases and liquids such as natural and synthesis gas,

methanol, etc., for use as chemical feedstocks and fuels; 2) utilization of more selective separation processes; 3) bioproduct separation/purification

technology needed for large scale manufacture of biochemicals; and 4) new techniques for management and disposal of potentially harmful chemical wastes.

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 expanded to include a project on bioseparations. New work was initiated on heat transfer in supercritical extraction processes and on the use of reaction systems at supercritical conditions

to treat hazardous wastes. Plans have been developed to initiate new research

projects on thermal transport properties of ceramics and composites, and the

field of chemical vapor deposition is of future interest to the Division.

In addition, the Chemical Engineering Science Division serves other

government agencies, 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 generic engineering

design data and elemental process engineering models; standard measurement

procedures and test methods; predictive techniques, correlations, computer

codes, and underlying theories needed by the chemical and related industries

to design, control, and develop new manufacturing 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 modeling

and predictive techniques, state-of-the-art measurement techniques, and

advanced understanding of elemental process mechanisms. The approach is to

conduct research on fundamental concepts, new ideas and phenomena, and predictive models in synergism with experimental programs. The endeavors nurture

development of new processing techniques, provide accurate models of transport

phenomena, and lead to understanding of advanced engineering concepts. An

2
essential corollary of these efforts is the critical evaluation and correlation of experimental measurement techniques, leading to the development of

voluntary standard measurement practices and test methods.

3. GROUP FUNCTIONS

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

Transport Processes, System Dynamics, and Properties of Solids.

° Transport Processes - S.K. Sikdar, Group Leader

The Transport Processes Group performs experimental, theoretical, and

mathematical modeling research in: membrane processes; separation of gases,

solutions and biochemicals; heat transfer; destruction of toxic wastes; and

transport processes in microgravity.

° System Dynamics - M.J. Hiza, Group Leader

The System Dynamics Group performs research to provide data, measurement

methodology standards, and thermodynamic criteria for the optimum application

of fundamental principles in physical process operations —including flow

metrology at normal and extreme conditions, fluid management in normal and low

gravity, and mass and energy changes in multicomponent, multiphase systems — to

support programs of other agencies and industrial trade organizations and to

promote efficiency and measurement accuracy in the chemical and allied

industries

.

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

The experimental and analytical research of the Properties of Solids

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, oil shale, and gas hydrates), foams, fibers, f iberboards

,

aggregates, metals, ceramics, composites, and polymers. Work is performed on

the ignition and combustion characteristics and rapid oxidation of metal

alloys, in an oxygen environment, at pressures up to 20 MPa. Efficiencies and new concepts of refrigeration are studied.

4. SELECTED PROJECT SUMMARIES

TRANSPORT PROCESSES GROUP

Separation by Reversible Chemical Complexation

:

Data, Mechanisms and Modeling

R.D. Noble, J.D. Way, L.A. Powers, S. Bischke,

M.-F. Jin, S.K. Sikdar

Reversible chemical complexation offers important advantages over conventional methods for separating species from gases and liquids. The objectives

of this research are to develop basic measurement techniques and standards,

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

3
models and computer codes for the use of this facilitated transport technique

in separation processes. The fundamental characteristics of this separation

technique are being studied by experimental work on two applications:

(1) selective separation of gases by an immobilized liquid membrane consisting

of an ion exchange membrane neutralized by an organic base carrier, and

(2) selective separation of carboxylic and amino acids by acid and salt-forms

of ion exchange membranes.

The experimental part of the program includes measurement of mass transfer fluxes and determination of the mechanisms of transport. The mathematical

modeling is employed to develop equations to predict species fluxes and

separation factors of one species over another. Gases which have been

successfully separated using ethylene diamine-mediated per f luorinated ion

exchange membranes are CO 2 and H 2 S . Current efforts are being directed toward

hydrogen and ethylene. In liquids, transport data are being collected on some carboxylic and amino acids, and the mechanism of transport is being

established. The gas separation work is funded by DoE.

Biochemical Separation

R.A. Perkins, G.F. Slaff, B.R. Bateman, D. Steward, S.K. Sikdar

The biochemical separation program is a new initiative in separation

research. The major objective of this program is to provide data and understanding necessary for the design of industrial bioseparation processes.

Current research activities are focused on the technique of two-phase aqueous

extraction as a means of separating proteins from aqueous solutions.

The aqueous two-phase extraction technique is an important alternative to

chromatographic methods which are expensive. The experimental work undertaken

to provide fundamental data, understanding, and models includes: (1) measurement of protein partition coefficient data for two-phase systems consisting of

aqueous solutions of polyethylene glycol, dextran, and salts; (2) measurement

of mass transfer coefficients for proteins transferring across the interface;

and (3) development of the technique of double exposure holography for the

measurement of protein dif fusivities . On the theoretical side, a statistical

thermodynamic approach is being investigated as a predictive tool for protein

partition coefficients. The bioseparation program is collaborative with the

University of Arizona and the University of Bombay.

Heat Transfer in Supercritical Fluids

M.C. Jones, P.J. Giarratano, L.A. Powers, J.F. Welch

The precipitation or condensation of solutes from supercritical solvents

by heating, a phenomenon known as retrograde condensation, is a promising

industrial process. However, data and understanding of retrograde condensation in supercritical mixtures, necessary for design of heat exchange equipment, is seriously lacking. The objective of this program is to study the

phenomenon experimentally, and provide mathematical models and/or correlations for the prediction of heat transfer coefficients.

4
An apparatus has been built for measuring heat transfer data for a number

of solutes in supercritical carbon dioxide. Plans exist for the observation

of the nucleation mechanisms using optical techniques to aid the interpretations of the heat transfer results. Experiments have begun.

Superfluid Helium Transport in Zero Gravity

V.D. Arp, D.E. Daney, P.R. Ludtke, W.G. Steward

Transferring cryogens in space is an integral part of NASA's space

program. For cooling and maintenance of expensive equipment in space, superfluid helium needs to be transferred in a microgravity environment. The NBS

approach is to use a centrifugal pump, free of cavitation problems. The

objective of this program is to support the NASA mission by providing superfluid helium pumping characteristics, and aid in the fabrication of a prototype for tests on board a space shuttle.

SYSTEM DYNAMICS GROUP

Metering of Natural Gas and Cryogenic Liquids

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

J.D. Siegwarth, I. Vazquez

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 three projects currently under study. The first is aimed

at providing substantial improvement in the metering of natural gas by means

of orifice and turbine type flowmeters. 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 inter laboratory comparisons in Europe.

Also under investigation are swirl phenomena, flow conditioning concepts, and

pipe roughness effects. The work in Boulder on gas flow is closely coordinated with similar work on water flow in the Chemical Process Metrology

Division. 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 hydroelectric

plant 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.

Process Thermodynamics

V.D. Arp, J.W. Bransford, D.E. Daney, M.J. Hiza, B. Louie,

P.R. Ludtke, J.D. Siegwarth, W.G. Steward, and R.O. Voth

This work is designed to provide engineering, principally cryogenic

engineering, expertise to other government agencies to solve or provide the

basis for solution of a variety of problems. Current research is concerned

5
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; 2) reviewing and evaluating thermodynamic modeling of

cryogenic systems in support of high energy physics experiments at the

National Accelerator Laboratory; 3) analyzing the fluid mechanics, thermodynamics, and phase equilibria, and assessing the applicability of measurement

methodology in the production, transfer, and storage of liquid-solid mixtures

of hydrogen; and 4) performing experiments and analyzing the fluid mechanics

and thermodynamics on the transfer and storage of large quantities of fluids

such as liquid hydrogen, oxygen, and superfluid helium with application to

fluid management in low gravity environments. The work in areas 1) and 2) is

supported by the Department of Energy, in area 3) by the Defense Advanced

Research Projects Administration, and in area 4) by the National Aeronautics

and Space Administration.

PROPERTIES OF SOLIDS GROUP

Solid Fuels Research

J.E. Callanan, B.J. Filla, J.G. Hust, K.M. McDermott,

L.L. Sparks, S.A. Sullivan

The techniques developed for measurement of the heat capacity of raw

coals have been extended to coals of different ranks, premium coals, chars,

and ash. The total enthalpy of an exothermal reaction, observed on the

initial heating of a raw coal, has been evaluated. The magnitude of the

enthalpy change is related to the degree of oxidation of the coal. Through

collaboration with other coal scientists, we will continue our attempts to

understand this reaction. Other experimental results which will aid in this

evaluation include those for premium coals, for heat capacities studied in

various atmospheres, for heats of desorption of water from coal, and the

analyses of the effluent gases. Measurements on macerals will permit evaluation of the mineral contribution to the overall reaction. Maceral specimens

have been prepared.

The high pressure cells that will be used to extend the measurements of

heat capacities above 600 K have been activated and their accuracy and precision evaluated. We will proceed with the higher temperature measurements

during the coming year

.

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

two components, will be prepared on site for use in thermal conductivity

measurements on powdered coal. Such measurements were completed successfully

last year, but we question the compositions of the specimens, which were prepared off-site. The results from the compression probe thermal conductivity apparatus will be compared with 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 the Thermophysics Division. Agreement

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

6
Co 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

sys terns .

Work on gas hydrates has continued. Enthalpic heat capacity measurements

have been completed on pure and mixed tetrahydrofuran hydrates. Ethylene

oxide hydrates have been prepared and conditioned. A chamber that will permit

thermal conductivity measurements at elevated pressures has been designed and

fabricated. The thermal expansion measurement system has been modified to

permit measurements on hydrates.

A draft of a summary report on oil shale research needs has been completed. Research plans for shales have been formulated, and a preproposal for

shale research has been developed.

External funding is being sought for the application of some of our measurement techniques (for coal) to practical problems associated with coal

gasification .

Development of SRM 1 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).

Research for the development of high-temperature insulation SRM's is

funded by DoE . These SRM's will fill an existing gap in the range of available thermal conductivity SRM's and are of interest to researchers and manufac

turers in the chemical and related industries.

Biphenyl (SRM 2223) and mercury (SRM 2224) have been certified as tempera

ture and enthalpy-of- trans it ion standards according to procedures outlined in

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

certification of standards for the ambient and high temperature regions. The

heat capacity of 9-me thy lcarbazole has been measured by adiabatic calorimetry

from 6 to 345 K and by differential scanning calorimetry (DSC) from 125 to

350 K. The final comparisons of these results to determine whether heat

capacity standards can be developed by scanning calorimetry will be completed

shortly. A study of the energy calibration of DSC's, as a function of tempera

ture and enthalpy, is also in progress.

7
Cryocooler Studies

R. Radebaugh, P. Bradley, J. O'Keefe, V. Arp, J. Gary*

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. Measurements of efficiency and refrigeration power have been made on four different pulse tubes. The results show

intrinsic cooling efficiencies as high as 50 to 90 percent of Carnot in some cases and large refrigeration powers. These results are published in an NBS

Technical Note and a paper presented at the Fourth International Cryocooler

Conference in September 1986.

Under a five-year Air Force (AF) 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 was sent to an AF contractor for tests in an actual refrigerator

It increased the refrigeration power by 23 percent and decreased the low

temperature limit from 7.1 K to 6.2 K. This material is now being tested in

the NBS apparatus. Theoretical and experimental studies of the effect of the

phase angle between compressor and expander pistons on regenerator performance

are in progress and indicate overall refrigerator improvements can be made by

a proper choice of phase angle. A computer program for the first step, optimi

zation of regenerators, has been developed and the floppy disk for use on a personal computer is available upon request to the Air Force.

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 helium-charcoal compressor

is lacking, but a program funded by the Air Force Space Technology Center has

allowed us to measure the adsorption characteristics of helium on charcoal in

the temperature range 10 to 77 K. These results will be published in the jour

nal Cryogenics. Measurements on other charcoals as well as measurements of

heats of adsorption are in progress.

Refrigeration reliability can be improved by the use of redundant cryocoolers. That approach requires the use of heat switches between the cryocoolers and the sensor to be cooled. One technique uses pressure contact

between two metals. Required forces are about 13 000 N (3 000 lb). No data

existed on the thermal conductance of such contacts at cryogenic temperatures.

With funding from the Air Force Space Technology Center, we have made measurements on three pairs of metal samples, at temperatures from 10 K to room

temperature and forces from 45 N (10 lb) to 27 000 N (6 000 lb). The data

have been used by an AF contractor for the design of heat switches.

*NBS Center for Applied Mathematics

8
Metal Combustion in High Pressure Oxygen

J.W. Bransford, J.A. Hurley, I. Vazquez, P.I. Billiard

A program to study the ignition and combustion characteristics of a number of metals and alloys in high pressure oxygen, at 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 2 laser

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

after ignition. Also measured are 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 use 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 continue to develop as replacements

for metals and plastics in electronic components and high performance engines

and structures. Research on these materials has traditionally been in the areas of processing and mechanical properties. 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, turbo compressors, thermal barriers,

electrical components, and substrates for electronic components.

Three projects to address these needs are active within the group:

(1) continued development of a steady-state thermal conductivity apparatus to

allow ceramics and ceramic composites to be studied to 1270 K; (2) completion

of a guarded-hot-plate thermal conductivity apparatus to allow ceramic fiber

insulation to be studied to 800 K; and (3) alteration o? the existing optical

dilatometer to study foamed ceramics at low temperatures.

A third thermal conductivity apparatus is required to satisfy very high

temperature (2300 K) thermal conductivity needs. Specifics of this system

continue to be 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 renovated as required to allow use at high temperatures.

9
Oxidation of Metals in High Pressure and High Temperature Oxygen

J.W. Bransford, J.A. Hurley

A thermogravimetric apparatus has been designed. The apparatus will be

used to directly determine the oxidation rate of important technical alloys in

high temperature and high pressure oxygen. The data generated by these

studies will be of interest to all users of oxygen at high temperature and

elevated pressure.

5. HONORS AND AWARDS

None .

6 . PUBLICATIONS

Arp, V., A comparison of centrifugal and fountain effect pumps, Cryogenics,

Vol . 26, pp. 103-106 (Feb. 1986).

Arp, V.D. and Persichetti, J.M.

,

1. Theoretical concepts, to

Thermally induced flow in confined fluids,

be published in Int. J. Heat & Mass Transfer.

Bransford, J.W., Billiard, P.A., Hurley, J.A. and Vazquez, I., Ignition

characteristics of selected SSME alloys, to be published in NASA Conf.

Proc

.

Bransford, J.W., Billiard, P.A., Hurley, J.A. and Vazquez, I., Ignition

characteristics of selected SSME alloys, to be published in NASA Conf.

Proc .

Brennan, J.A., Bateman, B.R., McManus, S.E., Sindt, C.F. and Vazquez, I.,

NBS-Boulder basic gas metering project, to be published in AGA

Proceedings

.

Brown, R.J., Callanan, J.E., Weir, R.D. and Westrum, E.F., The thermodynamics

of ammonium scheelites. II. Heat capacity deuterated ammonium

perrhenate, ND^ReO^, from 7.5 to 320 K, J. Chem. Thermodyn., Vol. 18,

pp. 777-792 (Jan. 1986).

Brown, R.J., Callanan, J.E., Weir, R.D. and Westrum, E.F., The thermodynamics

of ammonium scheelites IV. Heat capacity of ammonium netaperiodate

NH4 IO4 from 8.6 to 324 K, to be published in J. Chem. Thermodyn.

Brown, R.J., Callanan, J.E., Weir, R.D. and Westrum, E.F., The thermodynamics

of ammonium scheelites III. An analysis of the heat capacity and related

data of deuterated ammonium perrhenate ND^ReO^, to be published in J. Chem . Phys

.

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

differential scanning calorimetry, J. Res. Nat. Bur. Stand. (U.S.),

Vol. 91, No. 3, pp. 123-129 (May-June 1986).

10
Callanan, J.E., McDermott, K.M. and Sullivan, S.A., Subambient temperature

calibrants for differential scanning calorimeters, to be published in

Thermoch imica Acta.

Callanan, J.E. and Sullivan, S.A., Development of standard operating

procedures for differential scanning calorimeters, to be published in

Rev. of Sci. Instru.

Callanan, J.E., Sullivan, S.A. and MacDonald, R.A., Experimental determination

and modeling of the heat capacity of coal in varying atmospheres, to be

published in Int. J. Thermophys

.

Giarratano, P.J., Arp, V.D. and Kumakawa , A., Limits to optical measurement of

heat transfer in high-gradient systems, to be published in Applied

Optics

.

Giarratano, P.J. and Arp, V.D., Transient heat transfer and thermophysical

properties measurements in near-zero gravity, to be published in Adv.

Astronaut. Sci.

Glugla, P.G. and Dindi, H., Transport of aniline, chloroaniline , ni troani 1 ine

,

and urea through per f luorosul fonated ionomer membranes, to be published

in J. Membrane Sci.

Hanna, G.J., Noble, R.D. and Michel, F.C., Interfacial resistance for

carboxylic acid transfer from decane to water, to be published in J. Phys . Chem

.

Herrmann, S. and Radebaugh , R., Measurements of the efficiency and refrigeration power of pulse-tube refrigerators, Nat. Bur. Stand. (U.S.) Tech.

Note, to be published.

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

(Feb. 1986).

Hust, J.D., Insulation standard reference materials of thermal resistance, to

be published in Thermal Conductivity 19.

Hust, J.G., Callanan, J.E. and Sullivan, S.A., Specific heat of insulations,

to be published in Thermal Conductivity 19.

Jin, M.F., Michel, F.C. and Noble, R.D., Kinetics of copper extraction using

( anti-2-hydroxy-5-nonylbenzophenone oxime), to be published in

Polyhedron

.

Jones, M.C. and Persichetti, J.M., Convective instability in packed beds with

throughflow, to be published in J. American Institute of Chemical

Engineers

.

Jones, M.C., Gallagher, K.Y. and Feuerherm, H.R., Residence time distributions

for free convection in packed beds, to be published in Chem. Eng. Comm.

Ludtke, P.R., Natural Gas Handbook, Nat. Bur. Stand. (U.S.) NBSIR, to be

published

.

11
Mann, Douglas B., LNG MEASUREMENT: A Users' Manual for Custody Transfer, Nat.

Bur. Stand (U.S.) NBSIR-3028 (1985).

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

transport liquid membranes, American Institute of Chemical Engineers

Symp. Series, Vol . 82, No. 248, pp . 93-97 (1986).

Noble, R.D., Way, J.D. and Powers, L.A., Effect of external mass-transfer

resistance on facilitated transport, I&EC Fundamentals, Vol. 25, No. 3,

pp. 450-452 (1986).

Radebaugh , R., Book Review: Matter at low temperatures by P.V. E. McClintock,

D.J. Meredith and J.K. Wigmore, Cryogenics, Vol. 25, p. 595 (Oct. 1985).

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

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

Adv. Cryo. Eng., Vol. 31, pp. 779-789 (1986).

Reed, D.L., Bunge, A.L. and Noble, R.D., Influence of reversible consumption

on continuous flow extraction by emulsion liquid membranes, to be

published in J. American Institute of Chemical Engineers.

Siegwarth, J.D., Vortex shedding flowmeter for fluids at high velocities, to

be published in Proc. 1986 Conf. on Advanced Earth to Orbit Propulsion

Technology

.

Siegwarth, J.D., Vortex shedding flowmeter performance at high flow

velocities, Nat. Bur. Stand. (U.S.) Tech. Note, to be published.

Steward, W.G., A centrifugal pump for superfluid helium, Cryogenics, Vol. 26,

pp. 97-102 (Feb. 1986).

Way, J.D., Noble, R.D., Reed, D.L. and Ginley, G.M., Facilitated transport of

CO 2 in ion exchange membranes, to be published in J. American Institute

of Chemical Engineers

.

7 . TALKS

Arp, V., A Computer Program for the Design of Optimum Regenerator Geometry,

Wright-Patterson Air Force Base, Flight Dynamics Laboratory, Dayton, OH,

July 30, 1986.

Bischke, S.D., Separation of Amino Acids from Mixtures Using an Ion-Exchange

Membrane, American Chemical Society, First International Conference on Separation Science and Technology, New York, NY, Apr. 16, 1986.

Brennan, J.A. , NBS-Boulder Basic Gas Metering Project, A.G.A. Distribution/Transmission Conference, Chicago, IL , Apr. 28, 1986.

Bransford, J.W., An Overview of NBS Metal Combustion Studies, Chemical Engineering Science Division Colloquium, NBS/CCE, Boulder, CO, Dec. 6, 1985.

12
Bransford, J.W., Ignition Characteristics and Behavior of Selected SSME

Alloys, 1986 Conference on Advanced Ear th-To-Orbit Propulsion Technology,

Huntsville, AL, May 13, 1986.

Callanan, J.E., Thermal Properties of Hydrates, Gas Hydrates, Artic/Offshore

Research, Morgantown, WV , Mar. 25, 1986.

Callanan, J.E., Determination of Thermal Properties of Coal —A Black Art,

Chemical Engineering Science Division Colloquium, NBS/CCE, Boulder, CO,

May 30, 1986.

Callanan, J.E., Standards (Calibrants) for Calorimetry: Current Status;

Needs, IUPAC Conference on Chemical Thermodynamics, Lisbon, Portugal,

July 14, 1986.

Callanan, J.E., Thermodynamic Properties of 9-Methylcarbazole From 4 - 345 K;

Comparison of Adiabatic and Scanning Calorimetry, Calorimetry Conference,

Somerset, NJ, Aug. 19, 1986.

Giarratano, P.J., Experimental Studies of Transient Heat Transfer and

Measurement of Thermophysical Properties at High Temperature and in Low

Gravity, University of Colorado, Boulder, CO, Apr. 9, 1986.

Giarratano, P.J., Experimental Studies of Transient Heat Transfer and

Measurement of Thermophysical Properties at High Temperature and in Low

Gravity, Electro Technical Lab., Tsukuba, Japan, July 31, 1986.

Giarratano, P.J., Experimental Studies of Transient Heat Transfer and

Measurement of Thermophysical Properties at High Temperature and in Low

Gravity, Kyushu University, Fukuoka, Japan, Aug. 6, 1986.

Giarratano, P.J., Experimental Studies of Transient Heat Transfer and

Measurement of Thermophysical Properties at High Temperature and in Low

Gravity, Hitachi Corp., Kudamatsu, Japan, Aug. 7, 1986.

Giarratano, P.J., Experimental Studies of Transient Heat Transfer and

Measurement of Thermophysical Properties at High Temperature and in Low

Gravity, Osaka University, Osaka, Japan, Aug. 9, 1986.

Hurley, J.A., Oxidation Studies on Metallic Alloys using Differential Thermal

Analysis, American Chemical Society, Eighth Rocky Mountain Regional

Meeting, Denver, CO, June 9, 1986.

Hust, J.G., Specific Heat of Insulations, ASTM C16.30 Forum on Reference

Materials, Louisville, KY , Mar. 12, 1986.

McDermott, K.M., Differential Thermal Analysis Studies of the Effects of Heat

Treatment on Transitions in Hafnium-Bearing Superalloys, American

Chemical Society, Eighth Rocky Mountain Regional Meeting, Denver, CO,

June 9, 1986.

Noble, R.D., Facilitated Transport of Gases, International Membrane Conference, Tubingen, West Germany, Sept. 5, 1986.

13
Noble, R.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes,

International Solvent Extraction Conference, Munich, West Germany,

Sep. 16, 1986.

Perkins, R.A. , Separation of Proteins/Enzymes by Aqueous Two Phase Partition,

American Chemical Society, First International Conference on Separation

Science and Technology, New York, NY, Apr. 16, 1986.

Powers, L.A., A Method for the Prediction of Equilibrium Values in Practical

Solvent Extraction Systems (Application to Ammoniacal-copper Systems)

International Solvent Extraction Conference, Munich, West Germany,

Sep. 12, 1986.

Radebaugh , R. , Pulse Tube Refrigeration, Department of Chemical Engineering,

University of Colorado, Boulder, CO, Oct. 10, 1986.

Radebaugh, R., Pulse Tube Refrigeration, Chemical Engineering Science Division

Colloquium, NBS/CCE, Boulder, CO, Jan. 17, 1986.

Radebaugh, R., Ineffectiveness of Powder Regenerators in the 10 K Temperature

Range, Interagency Meeting on Cryocoolers , Easton, MD, Sep. 24, 1986.

Radebaugh, R. , Refrigeration Efficiency of Pulse Tube Refrigerators, 4th

International Cryocooler Conference, Easton, MD , Sep. 25, 1986.

Siegwarth, J.D., Vortex Shedding Flowmeters at High Flow Velocities, Program

Review, NBS , Gaithersburg, MD , Oct. 31, 1985.

Siegwarth, J.D., Vortex Shedding Flowmeters for Fluids at High Flow Velocities, 1986 Conference on Advanced Ear th- to-Orbit Propulsion Technology,

Huntsville, AL, May 13, 1986.

Sikdar, S.K., Membrane Separation of Dilute Mixtures, Calcutta University,

Calcutta, India, Dec. 6, 1985.

Sikdar, S.K., Chemical Engineering Research at the National Bureau of

Standards, Jadavpur University, Calcutta, India, Dec. 14, 1985.

Slaff, G.F., Two Phase Aqueous Extraction Processes for the Separation and

Purification of Proteins, Smith, Kline, and French Laboratory, Swedeland,

PA, May 23, 1986.

Slaff, G.F., Problems (and Solutions?) in Bioseparations, Lehigh University,

Bethlehem, PA, May 27, 1986.

Slaff, G.F., Two Phase Extraction Processes for the Separation and Purification of Proteins, Schering Corporation, Union, NJ, May 28, 1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes, Dow

Chemical Company, Central Research, Walnut Creek, CA, Mar. 3, 1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes, SRI

International, Menlo Park, CA, Mar. 4, 1986.

14
Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes,

American Chemical Society, New York, NY, Apr. 16, 1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes,

American Chemical Society, Denver, CO, June 12, 1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes,

Synthetic Membranes, Gordon Conference, New London, NH, June 27, 1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes,

Separation and Purification, Gordon Conference, New London, NH , Aug. 14,

1986.

Way, J.D., Facilitated Transport of Acid Gases in Ion Exchange Membranes, Air

Products and Chemicals, Allentown, PA, Sep. 26, 1986.

Welch, J.F., Propagation of Error in the Analysis of Performance of an Incinerator, Kansas State University, Manhattan, KS , May 21, 1986.

8. COMMITTEE MEMBERSHIPS AND EDITORSHIPS

COMMITTEE MEMBERSHIPS

J.W. Bransford

ASTM G4 Committee on Materials Compatibility and Sensitivity in Oxygen

Enriched Atmosphere, Test Methods Subcommittee (Member)

Chemical Engineering Science Division Hazards Review Committee (Member)

J.A. Brennan

Amer. Gas Assoc., Transmission Measurement Committee (Technical Advisor)

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

J.E. Callanan

Calorimetry Conference Board of Directors (Director)

Calorimetry Conference Standards Committee (Member)

ASTM E37 Committee on Thermal Measurements, Test Methods and Recommended

Practices Subcommittee (Member), and Standard Reference Materials

Subcommittee (Chairman)

American Chemical Society, Fuel Division (Membership Chairman)

American Chemical Society, 1986 Regional Meeting (Symposium Co-chairman)

NBS Boulder Laboratories Editorial Review Board (Member)

15
M.J. Hiza

American Institute of Chemical Engineers, National Cryogenics Committee

13h (Member)

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

J. Hord

American Institute of Chemical Engineers, Research Committee (Second Vice

Chairman and Chairman of Oversight Subcommittee)

J.G. Hust

ASTM C16 Committee on Thermal Insulations, Thermal Measurements

Subcommittee (Member)

ASTM E37 Committee on Thermal Measurements, Standard Reference Materials

Subcommittee (Member)

International Thermal Conductivity Conference (Vice Chairman of Governing

Board

)

K.M. McDermott

Rocky Mountain Thermal Analysis Forum (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)

R. Radebaugh

Federal Government Interagency Panel on Refrigeration (Member)

Cryogenic Engineering Conference Board (Chairman)

Conference on Cryocoolers — 1986 (Program Committee)

V.N. Schrodt

American Institute of Chemical Engineers, National Program Committee

( Chairman

)

Industrial and Professional Advisory Council, Department of Chemical

Engineering, The Pennsylvania State University (Chairman)

S. K. Sikdar

AAAS , Physical Sciences Division, Graduate Student Speech Contest (Judge,

Boulder, CO, Apr. 1986)

16
University of Colorado Biotechnology Advisory Council, Department of

Chemical Engineering (Member)

ASTM Committee on Membrane Characterization for Biotechnology (Chairman)

American Chemical Society, Separation Science and Technology Subdivision,

Program Committee (Member)

L.L. Sparks

ASTM E20 Committee on Temperature Measurement, Thermocouples Subcommittee

( Member

)

ASTM C16 Committee on Thermal Insulation, Thermal Measurement

Subcommittee (Member)

ASTM C9 Committee on Concrete and Concrete Aggregates (Member)

R.O. Voth

Chemical Engineering Science Division Hazards Review Committee (Chairman)

J.F. Welch

ASTM D34 Committee on Waste Disposal (Member)

ASTM D34.08 Subcommittee on Thermal Treatment (Acting Secretary)

ASTM D34.08.06 Task Group on Calculational Methods (Chairman)

EDITORSHIPS

M.J. Hiza

Fluid Phase Equilibria (Editorial Board)

Proceedings of the 6th Cryogenics Intersociety Symposium, American

Institute of Chemical Engineers Symposium Series, October 1986.

(Co-editor with A.J. Kidnay)

J.G. Hust

Journal of Thermal Insulation (Editorial Board)

R. D. Noble

Proceedings of the Membrane Separation Technology Symposia, American

Chemical Society Symposium Series, June 1986. (Co-editor with J.D. Way)

S. K. Sikdar

Gas Separation and Purification, Butterworth (Member of International

Editorial Board)

17
J.D. Way

Proceedings of the Membrane Separation Technology Symposia, American

Chemical Society Symposium Series, June 1986. (Co-editor with

R.D. Noble)

9. PROFESSIONAL INTERACTIONS

FACULTY APPOINTMENTS

J.E. Callanan

Adjunct Associate Professor, Department of Chemistry, University of

Colorado

M.C. Jones

Adjunct Associate Professor, Department of Chemical Engineering and

Petroleum Refining, Colorado School of Mines

R.D. Noble

Adjunct Associate Professor, Department of Chemical Engineering,

University of Colorado

INDUSTRY

M.J. Hiza

Collaboration with T. Selover, SOHIO, Cleveland, OH, on data for the

petrochemical industry and activities of the CODATA Task Group—Data

for the Chemical Industry.

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

activities —Data for the Chemical Industry.

Collaboration with M.E. Baltatu, Fluor Engineering Inc., Irvine, CA, on activities of the CODATA Task Group—Data for the Chemical Industry,

specifically in the area of biotechnology.

S .E . McManus

Collaborative research with C. Griffis and K. Kothari , Gas Research

Institute, Chicago, IL, on the effects of flow disturbances and

installation design on flow meters.

R. Radebaugh

Cooperative research with S. Russo, Hughes Aircraft, El Segundo, CA, on regenerator efficiency studies.

Cooperative research with C. King, Alabama Cryogenic Engineering,

Huntsville, AL, on pulse tube refrigeration.

18
Cooperative research with G. York, Hughes Aircraft, El Segundo, CA, on thermal conductance of metal pressure joints.

J.D. Siegwarth

Collaborative research with Joel Blumenthal , Micromotion, Inc., Boulder,

CO, supplied densimeter to Micromotion for fluid density calibration.

L.L. Sparks

Coauthorship of paper with R.W. Rosser, Hughes Aircraft, Culver City, CA, on thermal behavior of polymer composites.

ACADEME, 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.

Collaboration and proposal preparation with D.R. Kassoy, University of

Colorado, Boulder, CO, on thermo-acoustic convection.

B.R. Bateman

Cooperative research with R.B. Owen, NASA-MSFC, Huntsville, AL,

concerning use of double exposure holography and other optical methods to

measure the density gradient of protein solutions in a capillary.

Cooperative research with A.D. Randolph, University of Arizona, Tucson,

AZ, on crystallization of biomolecules in space.

Cooperative research with S. Selim, Department of Chemical Engineering

and Petroleum Refining, Colorado School of Mines, Golden, CO, on measurement of diffusion coefficients of proteins.

Collaborative research with J.R. Whetstone, NBS/CCE, Gaithersburg, MD

,

and J.L. Savidge, School of Chemical Engineering and Materials Science,

University of Oklahoma, Norman, OK, on calculating critical flow factors

for sonic nozzles using an equation of state for natural gas.

S.D. Bischke

Collaborative research with P. Glugla, Department of Chemical

Engineering, University of Colorado, Boulder, CO, on amino acid transport

through ionomeric membranes

.

J.E. Callanan

Collaborative research with R. Weir, Royal Military College, Kingston,

Ontario, Canada, on adiabatic calorimetry of solids.

Collaborative research with J. Crelling, Department of Geology, Southern

Illinois University, Carbondale , IL, on solid fuels thermal measurements.

19
Collaborative research with E.F. Westrum, Jr., Department of Chemistry,

University of Michigan, Ann Arbor, MI, on adiabatic calorimetry of

solids.

Collaborative research with D.F. Vecchia, NBS Center for Applied

Mathematics, Boulder, CO, on statistics of instrument calibration.

Collaborative research with R.A. MacDonald and R.D. Mountain,

Thermophysics Division, NBS/CCE, Gaithersburg, MD, on modeling of thermal

properties of solid fuels.

D.E. Daney

Cooperative research with G. Mattingly, NBS/CCE, Gaithersburg, MD , on modeling of fluid tangential vortex motion in cylindrical tanks near zero-g for mechanically induced 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. Miller, NBS/CCE,

Gaithersburg, MD , on thermophysical measurements in reduced gravity.

M.J. Hiza

Collaboration with F. Howard, NASA-KSC, J.F. Kennedy Space Center, FL, on refrigeration/liquefaction, and phase equilibria thermodynamics.

Collaboration with G. Mattingly, NBS/CCE, Gaithersburg, MD , on experimental measurement needs for fluid management in microgravity

environments

.

J.G. Hust

Collaborative research with F. Cabannes , CNRS , Orleans, France, on low

conductivity SRM research.

Collaborative research with T. Faison and B. Rennex , NBS Center for

Building Technology, Gaithersburg, MD , on thermal insulation standard

reference materials.

M.C. Jones

Collaborative research with S. Selim, Department of Chemical Engineering

and Petroleum Refining, Colorado School of Mines, Golden, CO, on the

measurement of dif f us ivities of macromolecules.

Collaborative research with R.B. Owen, NASA-MSFC, Huntsville, AL, on application of optical techniques to heat and mass transfer problems.

20
B. Louie

Cooperative research with T. Cleghorn, NASA-JSC, Houston, TX, on cryogen

storage and transfer.

P.R. Ludtke

Cooperative research with A.D. Mclnturff, Fermilab, Batavia, IL, on pumping of superfluid liquid helium with special pump.

K.M. McDermott

Collaborative research with D. Vecchia, NBS Center for Applied

Mathematics, Boulder, CO, on standard reference materials development.

Collaborative research with R. Weir, Royal Military College, Kingston,

Ontario, Canada, on adiabatic calorimetry of solids.

Collaborative research with E.F. Westrum, Jr., Department of Chemistry,

University of Michigan, Ann Arbor, MI, on adiabatic calorimetry of

solids

.

R.D. Noble

Cooperative research with A.L. Bunge, Department 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, Department of Chemistry, University

of Colorado, Boulder, CO, on experiments related to facilitated transport

of gases across liquid films.

Collaboration with ENEA Laboratories, Rome, Italy, on setting up a collaborative research program in gas separations and enzyme reactors.

R.A. Perkins

Cooperative research with S. Selim, Department of Chemical Engineering

and Petroleum Refining, Colorado School of Mines, Golden, CO, on diffusion of macromolecules.

Collaborative research with B.E. Dale, Department of Agricultural and

Chemical Engineering, Colorado State University, Ft. Collins, CO, on thermodynamics of protein denaturat ion

.

Collaborative research with H. Cabezas, Department of Chemical

Engineering, University of Arizona, Tucson, AZ, on statistical mechanics

of aqueous protein and polymer solutions.

Collaborative research with J.B. Joshi and S.B. Sawant, Department of

Chemical Technology, University of Bombay, Bombay, India, on aqueous

two-phase separation of proteins.

21
L.A. Powers

Collaborative research with D. Nilsen, U.S. Bureau of Mines, Albany

Research Center, Albany, OR, on solvent extraction modeling.

R. Radebaugh

Cooperative research with P. Storch and K. Timmerhaus , Department

of Chemical Engineering, University of Colorado, Boulder, CO, on pulse

tube refrigeration.

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, Department of Chemical

Engineering, University of Arizona, Tucson, AZ, on crystallization of

organic and biochemicals in space.

Collaborative research with S. Selim, Department of Chemical Engineering

and Petroleum Refining, Colorado School of Mines, Golden, CO, on the

measurement of dif fusivities of proteins and chemicals.

Collaborative research with P. Glugla, Department of Chemical

Engineering, University of Colorado, Boulder, CO, on the transport of

organic species through ion-exchange membranes.

Collaborative research with H. Semerjian, NBS/CCE, Gaithersburg, MD , on

the measurement of amino acids using two-dimensional spectroscopy.

Collaborative research with H. Cabezas, University of Arizona, Tucson,

AZ, on the modeling of protein partition in two-phase aqueous systems.

Collaborative research with J.B. Joshi and S.B. Sawant, University of

Bombay, Bombay, India, on the mass transfer of proteins in two-phase

sys terns

.

C. Sindt

Cooperative research with J.R. Whetstone, NBS/CCE, Gaithersburg, MD , on

the acquisition and analysis of orifice meter data for natural gas in the

Natural Gas Pipeline Company Facility in Joliet, IL.

Cooperative research with G. Mattingly, NBS/CCE, Gaithersburg, MD , on acquisition and analysis of orifice meter data for water in the NBS water

flow measurement facility at NBS, Gaithersburg, MD

.

L.L. Sparks

Program development with J.B. Wachtman, Center for Ceramics Research,

Rutgers University, Piscataway, NJ, on thermal properties of ceramics.

22
J.D. Way

Cooperative research with C.A. Koval, Department of Chemistry, University

of Colorado, Boulder, CO, on facilitated transport of gases and liquid

phase hydrocarbons.

J.F. Welch

Collaboration with J. Elias and R. Lundy, Fermi National Accelerator

Laboratory, Batavia, IL, on safety analysis.

Collaboration with M. Roberts, Naval Civil Engineering Laboratory,

Port Hueneme , CA, relative to application of supercritical technology to

treatment of Navy hazardous wastes.

10. CONFERENCES, WORKSHOPS, AND SEMINARS

CONFERENCES

A Symposium on Thermal Analysis in the Characterization of Material Behavior

at the American Chemical Society Rocky Mountain Regional Meeting in Denver,

CO, June 9-13, 1986 was organized and chaired by J.E. Callanan and A.R.

Greenberg (University of Colorado, Boulder, CO).

Membranes: Theory and Applications, four sessions held at the American

Chemical Society Rocky Mountain Regional Meeting in Denver, CO, June 11-12,

1986. J.D. Way and R.D. Noble, session chairmen.

Session [59], A Panel Discussion and Open Forum on Measurement Needs in the

Chemical and Related Industries, held at the American Institute of Chemical

Engineers Summer National Meeting in Boston, MA, Aug. 26, 1986. J. Hord

,

session chairman.

Fourth International Cryocooler Conference, held at Easton, MD , Sep. 25-26,

1986. Ray Radebaugh, member of program committee.

Sixth Cryogenics Intersociety Symposium of the American Institute of Chemical

Engineers, ASME, and HR, held in conjunction with the 1986 Annual Meeting of

the American Institute of Chemical Engineers, Miami Beach, FL , Nov. 2-7, 1986

M.J. Hiza, member of organizing committee and co-editor of symposium

proceedings

.

Session [7], Safety and Reliability of Cryogenic Systems, held at the 1986

Annual Meeting of the American Institute of Chemical Engineers, Miami Beach,

FL , Nov. 5, 1986. J. Hord, session vice-chairman.

WORKSHOPS

None

.

23
SEMINARS

Ms. Sharon Hines, Raptor Education Foundation, Denver, CO: Introduction to

Raptors, Birds of Prey, Nov. 1, 1985.

Mr. Bill Herbert, Coors Porcelain Company, Golden, CO: A Little Giant in a Big Shadow, An Overview of the Coors Porcelain Company, Nov. 22, 1985.

Dr. Alan S. Michaels, Alan Sherman Michaels, Inc. Boston, MA : Membrane

Processes for Bioproduct Recovery, Jan. 6, 1986.

Dr. Fred Fickett, NBS Center for Electronics and Electrical Engineering,

Boulder, CO: Fusion Energy Research, Current Status, Jan. 31, 1986.

Dr. Dave Clough, Department of Chemical Engineering, University of Colorado,

Boulder, CO: Chemical Process Control —A 20-Year Perspective, Feb. 28, 1986.

Mr. Tarun K. Ghose, Department of Chemical Engineering, University of

Delaware, Newark, DE : Advances in Immobilized Cell Technology, Mar. 21, 1986.

Dr. Lawrence L. Tavlarides, Department of Chemical Engineering and Materials

Science, Syracuse University, Syracuse, NY: Modeling and Scale Up of Reactors

for Liquid-Liquid Dispersions Undergoing Reaction, Apr. 1, 1986.

Dr. Arthur E. Humphrey, Lehigh University, Bethlehem, PA: Monitoring Biochemical Systems, Apr. 2, 1986.

Dr. Quen Shen Shu, Fermi National Accelerator Laboratory, Batavia, IL : A

Study to Reduce Heat Flux through Multilayer Insulation and Support Structures

in Large Scale Superconducting Magnets, Apr. 15, 1986.

Dr. M.M. Sharma , Department of Chemical Technology, Matunga, Bombay, India:

Separations through Reactions, May 1, 1986.

Dr. E. Freire, University of Tennessee, Knoxville, TN : Thermodynamics of

Insertion and Structural Stability of Membrane Proteins, June 10, 1986.

Mr. M.P. Thien, Massachusetts Institute of Technology, Cambridge, MA:

Separation and Concentration of Amino Acids Using Liquid Emulsion Membranes,

June 13, 1986.

Mr. Thomas J. Chresand, Colorado State University, Fort Collins, CO:

Substrate Dif fusivities in Cell-Collagen Matrices, July 7, 1986.

Dr. V.F. Baston, Physical Sciences, Inc., Middletown, PA: Three Mile Island

(TMI-2), A Chronological Review, July 11, 1986.

Dr. David W. Woodruff, General Electric Co., Schenectady, NY: Chemical

Engineering in the World of Microelectronics, Aug. 4, 1986.

Dr. D. Chatter ji, The BOC Group R&D Center, Murray Hill, NJ : Business and

Technical Interests of the British Oxygen Company Group, Aug. 22, 1986.

Mr. Mike Prairie, California Institute of Technology, Pasadena, CA, Experimental and Modeling Investigations of Steady— State and Dynamic Characteristics

of Ethylene Hydrogenation on Alumina Supported Pt, Sep. 29, 1986.

24
TECHNICAL ACTIVITIES

OF THE

THERMOPHYSICS DIVISION

N. A. Olien, Chief

1. INTRODUCTION

The research of the Thermophysics Division focuses on the thermodynamic

properties and dynamic behavior of fluids and solids, with particular emphasis

on properties and substances of current and future importance in chemical

engineering

.

The approach is to conduct research on fundamental theoretical models,

new concepts and phenomena, and predictive algorithms in synergism with experi

mental programs. The experimental research is aimed at developing new measure

ment techniques and providing highly accurate data for the properties of

carefully selected pure fluids and mixtures, as well as high temperature

solids, which are representative of broad classes of fluids and materials

encountered in many industries. An essential ingredient of the above efforts

will be the critical evaluation and correlation of data leading to the publica

tion of Standard Reference Data.

All industrial processes and certainly those in the chemical and fuel

industries are steadily moving toward alternative and more complex base feedstocks, which in turn yield more complex, and often corrosive and hazardous,

conversion products and often involve higher temperature processes. A very

significant factor in the application of the research described here is the

widespread use of process simulation and computer-aided design in the development, optimization, and control of processes and plants in the chemical, fuel,

and related industries. Key ingredients of all process simulators are the

data and models for the properties of fluids and other materials encountered

in the processes. Major outputs of the research program described here are property data in the form of predictive theoretical models and correlations,

which can be readily incorporated into process simulator and process control

algorithms

.

Thermophysics Division research addresses scientific issues of national

importance for which NBS expertise, and its impartial position, are critical

to data acceptance and to the resolution of problems of equity in trade for

such products as ethylene, natural gas, steam, carbon dioxide, etc. The major

ity of the work is directed toward problems of the future. These include, but are not restricted to, the following: 1) fluids encountered in the conversion

and utilization of coal, oil shale, heavy oils, and tar sands to gaseous and

liquid feedstocks and fuels which, in turn, contain substantial amounts of

aromatic organics and associating compounds (N, 0, S); 2) fluid mixtures

encountered in bioprocess engineering, which are essentially aqueous solutions

containing macromolecules; and 3) high temperature solid and fluid property

needs of government agencies for energy, defense, and aerospace (e.g. DoE,

DoD, NASA), where NBS expertise can provide specific results. The strategy is

to perform basic research, generic to the science underlying the chemical,

fuel, power, and aerospace industries, which requires the special role of NBS

25
as an impartial national laboratory excelling in experimental and theoretical

results and their interpretation.

2 . GOAL

The goal of the Division is to provide standard measurement procedures,

benchmark experimental data, and reliable methods of predicting key thermophysical properties of high temperature solids -and industrially important chemicals, fuels, and related fluids. These data are used: in the innovation,

design, and control of chemical processes; to insure equity in domestic and

international exchange of products; and by NBS and others as benchmark data to

extend versatile computational techniques which reliably predict the properties of broad classes of substances over extended operating ranges.

The output of this program assists the chemical, fuel, power, aerospace,

and related industries in maintaining and enhancing their competitiveness in

the international marketplace and in making their processes more efficient and

able to accept a broader array of input feedstocks, and in providing avenues

to the development of new products.

3. GROUP AND PROGRAM FUNCTIONS

GROUPS

° Equation of State and Statistical Physics (Gaithersburg, MD) -

J. M. H. Levelt Sengers , Group Leader

The Group conducts fundamental experimental and theoretical studies of

the properties and behavior of pure fluids, mixtures, and solids. Experimental activities include the development of state-of-the-art measurement techniques, benchmark data for thermodynamic properties, studies of interfacial

phenomena and properties, and studies of fundamental constants. Theoretical

studies include condensed matter in equilibrium and nonequilibriura, interfacial phenomena, fundamental models of the critical region, polydisperse

fluid mixtures, aqueous and polymer solution thermodynamics, and thermophysical properties of solids by a variety of analytical techniques and by computer

simulations. Major non-CCE sponsors of the work of this Group include the

DoE, NASA, and the NBS Office of Standard Reference Data (OSRD).

° Properties of Fluids (Boulder, CO) - W. M. Haynes, Group Leader

This Group has a research program which integrates experimental measurements, theoretical studies, and critical evaluation of data, all designed to

lead to a basic understanding of fluid behavior. Outputs are data and

theoretically-based predictive models for the properties of technically

important complex mixtures and pure fluids. The fluids of interest include common inorganics, industrial chemicals, hydrocarbons, coal conversion

products, heavy oils, biochemical solutions, etc. Principal non-CCE sponsors

of the work of this Group include the DoE, the Gas Research Institute, the

DoD, industrial consortia, and the OSRD.

26
PROGRAMS

° Dynamic Measurements (Gaithersburg, MD) - A. Cezairliyan, Project

Leader

This program develops dynamic (millisecond and microsecond) measurement

techniques and performs measurements of selected thermophysical properties of

high temperature materials over the range 1500 - 10 000 K. Materials investigated include high temperature conductors, refractory materials, metallic

composites, and high temperature Standard Reference Materials. The unique

capabilities of this laboratory provide the means to perform accurate measurements in temperature regimes and at high heating rates where conventional

techniques fail. Work on this program is largely supported by NASA and the

DoD

.

° Complex Fluids (Boulder, CO) - H. J. M. Hanley, Project Leader

This program provides advanced theoretical and experimental techniques

for the study of the behavior of complex fluid mixtures. It is totally

integrated with the technical activities of the Properties of Fluids Group.

4. SELECTED PROJECT SUMMARIES

The organizational realignment of October 1985, which brought the Properties of Fluids Group in Boulder into the Thermophysics Division, completed the

integration of thermophysical property research within the National Bureau of

Standards. The Dynamic Measurements Program and the Complex Fluids Program

are attached to the Division Office, while the remainder of the research of

the Division is now organized into two groups, one in Gaithersburg and one in

Boulder. Although each Group possesses certain areas of expertise and

interest, the technical work is carried out in a manner which minimizes

geographic limitations and distinctions. The reporting of the Technical

Activities in this section reflects the integrated efforts of the two groups.

The technical activities are described in six research areas: Equilibrium

Properties of Fluids and Fluid Mixtures; Behavior of Complex Fluids;

Properties of Supercritical Fluid Mixtures; Interfacial Properties and

Behavior; Transport Properties of Fluids and Fluid Mixtures; and

Thermophysical Measurements by Dynamic Methods.

Equilibrium Properties of Fluids and Fluid Mixtures

A substantial part of the research effort of the Thermophysics Division,

both experimental and theoretical, is devoted to studies of the equilibrium

properties of pure fluids and mixtures. Since so much of our mixture work

involves corresponding states and the mapping of mixture surfaces onto pure

fluid surfaces, pure fluid work is usually undertaken to provide basic data

for the development of mixture models. Clearly this area of our research is one which has close ties to our outside users and represents a traditional NBS

role in providing data for industrial and engineering applications.

J . F . Ely and M.L . Huber are engaged in the development of advanced

corresponding states theories which incorporate both microscopic theory and

27
pure fluid corresponding states approaches. Included is work on the hard

sphere expansion theory and its underlying mean density approximation. The

advantage of this approach is that theoretical advances can be directly

incorporated into the models. A major goal of this work is the development of

models which provide for polar-nonpolar interactions. In conjunction with

this goal, a computer model for carbon dioxide-rich mixtures (DDMIX) has been

developed and will be distributed by OSRD. Dr. Ely and D.G. Friend are applying the Wagner equation of state to light hydrocarbons with excellent

results, especially in the extended critical region. Ely is also completing

the development of an advanced version of his TRAPP computer code which will

provide predicted data in the two phase region. Work is also progressing on

the application of the TRAPP model to other classes of molecules such as refrigerants. Morrison (with D.A. Didion and M.O. McLinden of the NBS

Center for Building Technology) is engaged in a long term collaborative effort

to improve the operating efficiency of heat pumps and refrigeration systems,

particularly systems using mixed refrigerants. The work involves both

experimental research and equation of state development, and includes

extensive phase equilibria studies. The latter efforts include a substantial

amount of interaction with energy and refrigeration companies. A report

summarizing much of this collaborative work was published this past year.

As stated earlier, a traditional role for NBS is the provision of

Standard Reference Data for industrial, academic, and government use. During

the past year, B. A. Younglove and J.F. Ely completed the second volume of an OSRD series of thermodynamic data books; this one covers the lower alkanes.

The results of both books are incorporated in the computer code MIPROPS,

developed by R.D . McCarty and distributed by OSRD in both mainframe and

personal computer (PC) versions. R.D. Goodwin has completed critical

evaluations of thermodynamic data for methanol and benzene and is currently

working on toluene. Computer packages such as TRAPP, DDMIX, and MIPROPS are examples of the format in which much of our research will ultimately appear.

The ubiquitous nature of the personal computer dictates that our computer

results must eventually be PC compatible, even though some numerical precision

is sacrificed in the process. R.D. McCarty has extensive experience with

corresponding states applications, including propellent data for NASA. With

R.T. Jacobsen of the University of Idaho and J.M.H. Levelt Sengers , J. V.

Sengers , and colleagues at the University of Maryland, he has completed work

on the final formulation for ethylene for OSRD which will be published by

IUPAC. McCarty and Jacobsen are also engaged in the development of a highly

accurate equation of state for air in support of the National Aerospace-plane

Project. A related project aimed at the development of models for fluid

mixtures involves J. C. Rainwater and M.R. Mol dove

r

. Their model is applicable

to liquid-vapor equilibria for a wide range of mixtures in the critical and

extended critical region. The model provides an excellent correlating

technique for mixtures ranging from hydrocarbons to air, including some polar

fluids

.

During the past four years, the Thermophysics Division has greatly

expanded its experimental capability in several areas including equilibrium,

transport, and interfacial measurements. J.M.H. Levelt Sengers , D . Linsky , and H . A. Davis have completed the development of an automated Burnett PVT

apparatus which includes a unique pressure controlling system. G^_ Morrison , L . A. Weber , F . Guzman , and H . A. Davi

s

completed work on a variable volume VLE

apparatus. Both of these apparatuses are now in routine operation. During

28
the next year W.M. Haynes expects to complete work on an automated balance

densimeter. A guest worker, R. Masui, from the Japan National Laboratory for

Metrology will work with Dr. Haynes. The balance densimeter has been moved

from Gaithersburg to Boulder for the completion of its development. The

initial work on the apparatus was done by Dr. Masui working with J.M.H. Levelt

Sengers and R. F . Chang . This apparatus, along with Dr. Haynes' low

temperature magnetic suspension densimeter will provide the Division with

unprecedented capability for high accuracy PVT and PVTx measurements in the

range 90 - 500 K. Of great importance to our experimental work is the

equipment and expertise existing in the Division for the gravimetric

preparation of highly characterized fluid mixtures. The importance of this

capability, coupled with the existence of an advanced analytical laboratory,

cannot be overemphasized.

From the standpoint of measurement programs in equilibrium properties,

the Thermophysics Division has completed a substantial body of important

research in recent months. G. C. S traty completed PVT measurements on benzene

and toluene to 723 K and 673 K, respectively. In both cases measurements

extended beyond the point at which thermal decomposition became significant.

The techniques developed for analyzing and reporting data such as these are discussed in the complex fluids section below. D^_ Linsky completed PVT

measurements on the isobutane - isopentane system, mixtures used as geothermal

working fluids; the results extend to 430 K. These experimental data were

correlated by an equation of state developed by J.S . Gallagher . This marks

the completion of a major experimental and theoretical project in support of

the Heber Geothermal Power Plant. T. J. Bruno has performed fugacity measurements on a series of hydrogen binary mixtures (with ethane, carbon dioxide,

and carbon monoxide) using a unique apparatus which employs a palladium

membrane. L.A. Weber has completed VLE measurements on a series of mixtures

of hydrocarbons with refrigerants. Related PVT measurements on pure refrigerant 13 have been completed by J.W. Magee , using an isochoric PVT apparatus,

recently automated and upgraded by him. Dr. Magee will be performing

additional PVT measurements on carbon dioxide-hydrocarbon systems in support

of the supercritical consortium project discussed below. Dr. Magee, with J ,E

.

Mayrath , is conducting measurements of the specific heat at constant volume on

a series of methane-ethane mixtures.

The Thermophysics Division is one of the few laboratories in the world

with the capability of measuring sound speed in fluids. M.R. Moldover (with

J. Mehl of Delaware University) has developed the spherical acoustic resonator

technique to the point that measurements of unprecedented accuracy and

precision are possible. Four laboratories around the world have built

apparatus based upon Dr. Moldover' s ideas. During this past year, Dr.

Moldover (with J.M. Trusler of University College, London) completed sound

speed measurements in gaseous argon which should yield a new value for the

universal gas constant R, with an uncertainty of 5-10 parts per million (a

five-fold improvement). In addition to fundamental constant work, the

acoustic resonator technique has application in more routine measurements,

where it offers the advantages of high accuracy and rapid data taking. Dr.

Moldover has worked in Boulder with B.A. Younglove and N. V. Frederick in

applying the technique to sound speed measurements in gaseous mixtures. The

natural gas industry is very interested in using sonic nozzles as secondary

flow measurement standards, but has been hampered by the lack of accurate data

upon which to base performance. There are no experimental data in the

29
literature for sound speed in gas mixtures other than air. We expect the

spherical resonator apparatus to become operational soon. In the meantime,

Dr. Younglove has conducted sound speed measurements using a cylindrical

resonator of his own design. Thus far he has completed measurements on a series of mixtures of methane with ethane and nitrogen. These results

represent the first high accuracy results ever obtained for gas mixtures. In

a complementary effort, R.D. McCarty is developing a highly accurate

predictive model for sound speed in natural gas and similar mixtures.

Behavior of Complex Fluids

The research of the Thermophysics Division is moving in the direction of

developing the experimental techniques to study more complex mixtures and theoretical methods for modeling the behavior and properties of ever more complex

mixtures. We have started to address issues involving the thermophysical

properties of biological fluid mixtures. Although we have not actually begun

work in this area, we are organizing a one-day workshop at NBS-Gaithersburg in

March 1987 which will address the needs for property research in this area and

the experimental and theoretical priorities associated with thermodynamics in

biotechnology. Our current research in complex fluids certainly makes this a logical next step in our progression toward complexity.

H. J.M. Hanley and G.C. Straty are investigating universal behavior in

liquids, i.e. behavior that depends only weakly on the specific nature of the

molecule. The studies are geared to emphasize trends and similarities between

simple and complex molecules by studying relatively simple molecules like

supercooled glycerol which displays complex behavior such as shear dependent

thermodynamics. The research involves considerable computer simulation work

(including collaborations with D.J. Evans and others at Australian National

University, Oak Ridge, and Institut Laue-Langevin ) . J.F. Ely , J.C. Rainwater , and D.G. Friend are also involved in this theoretical work. On the experimental side, considerable beam time has been obtained over the past year on

the NBS small angle neutron scattering (SANS) facility using glycerol in

equilibrium. A shearing cell for the SANS facility is under development and

we expect results from that work in the next year.

In addition to the above work that involves molecular dynamics calculations (MD) on the new NBS supercomputer, R.D. Mountain is engaged in extensive

MD studies in condensed matter physics with emphasis on phase transitions and

metastability. With F.E. Sullivan of the NBS Center for Applied Mathematics

and G.W. Mulholland of the NBS Center for Fire Research, Dr. Mountain is

studying the kinetics of the growth of particulates undergoing Brownian motion

and aggregation by means of computer simulation using a "Brownian dynamics"

technique. Results have been obtained for the free molecular regime and for

the continuum limit for the background gas. The scattering of light by these

aggregates is also being examined. In the course of the work, a very efficient simulation code for the NBS supercomputer was developed. Dr. Mountain

is also using MD to investigate the dynamical processes involved in the

phenomenon of collision-induced absorption of far infrared radiation in rare

gas mixtures. Other MD work includes a study of molecular size effects in

model gas mixtures by J.F . Ely , Monte Carlo simulations of multicomponent

lattice Lennard-Jones mixtures by J ,R. Fox , and MD studies of phase transitions in model polar fluids by J.B. Hubbard . It is interesting to note at

30
this time that the supercomputer has become an indispens ible tool in the work

of the Thermophysics Division. During Fiscal Year 1986, the Thermophysics

Division accounted for nearly 40% of the total central-processor time on the

NBS supercomputer.

An important area of research for the Thermophysics Division is aqueous

solutions. The Division has a history of work on the properties of water and

steam with involvement from Haar , J .M.H . Level t Sengers , J . S . Gallagher , and J.V. Sengers . J.B. Hubbard has also done extensive work on nonequilibrium

theories of electrolyte solutions. The latter includes a series of lectures

on the subject by Dr. Hubbard at a NATO Advanced Study Institute this past

summer. J.M.H. Levelt Sengers chairs Working Group A of the International

Association for the Properties of Steam ( IAPS ) and co-organized a workshop on aqueous solutions at the IAPS meeting in Dusseldorf in September. Dr. J.V.

Sengers, with a number of co-workers, has been engaged in the comprehensive

study of the thermodynamic and transport properties of ordinary and heavy

water for IAPS. The work on aqueous solutions is expanding, not only because

of its inherent importance, but also because research on aqueous solutions

will play a large part in future efforts involving the properties of

biological solutions. Under the auspices of the OSRD, we have undertaken a fundamental study of the solubility of gases in water, as a function of

temperature and pressure. Current plans call for the use of a perturbation

technique, in order to map solution properties onto those of a pure solvent.

Dr. Levelt Sengers, along with Dr. Hubbard (with collaboration from J.C.

Rasaiah of the University of Maine) and J.S. Gallagher will be involved in

this aspect of the effort. Molecular dynamics simulations on aqueous

solutions will be carried out by R.D . Mountain .

Another area of recent work in the Thermophysics Division is the

thermophysical properties of reacting fluids. Recent work by G C . S traty

involves the experimental determination of the PVT properties of methanol,

benzene, and toluene at high temperatures. Liquid-vapor equilibria studies of

the methanol-water system are also being performed at high temperatures by

J .E . Mayra th . T. J. Bruno has completed work on an analytical facility, which

provides us with extensive capability for testing and analyzing fluids prior

to and during measurement programs. In conjunction with this work he has

recently published an extensive compilation of data for use in chemical

analysis, which will appear in 1987 as a handbook. Drs. Bruno and Straty,

along with H. J.M. Hanley are preparing publications detailing protocols for

characterizing reacting fluids, performing reproducible measurements on them,

and reporting data from such measurements. J.B. Hubbard (with J.C. Rasaiah

and S. Lee of the University of Maine and R.J. Rubin of the NBS Institute for

Materials Science and Engineering) is using computer simulations to study the

theory of diffusion controlled reaction kinetics in the presence of density

and composition fluctuations. Dr. Bruno is working on the second generation

version of a gas chromatography detector, which uses the temperature change

produced when a hydrocarbon undergoes catalytic cracking as the basis for the

detector

.

The general area of complex fluids includes mixtures with very large

numbers of constituents, and mixtures in which compositions change with

temperature, pressure, and time. The Thermophysics Division is investigating

the use of polydisperse fluid theory as a means of modeling these classes of

complex mixtures. J.M. Kincaid

,

G. Morrison, and R. A. MacDonald have

31
developed a formulation for a thermodynamic perturbation theory treatment of

multicomponent and polydisperse mixtures. Phase equilibria and critical point

conditions have been obtained to second order. Dr. Morrison is conducting

experimental measurements of phase equilibria in model polydisperse fluids in

support of this work. J ,F . Ely is using a form of continuous thermodynamics

in a preliminary study of water soluble polymers, with application to future

research in biological fluid mixtures.

Properties of Supercritical Fluid Mixtures

The topic of supercritical fluids and the array of potential applications,

ranging from enhanced oil recovery to chemical separations to biotechnology,

has made the field of supercritical fluids one of large interest to the

Thermophysics Division. Over and above that, however, other factors make the

field even more ripe for our involvement. First of all, the Division is

recognized around the world for its seminal research in the extended critical

region, the critical point, and scaled equations of state. Secondly, the NBS

reputation for excellence and accuracy in measurements and modeling very

neatly coincides with industry's requirements in this case. In order for

supercritical processes to achieve their full potential, properties of the

supercritical solvent and its mixtures must be known to high levels of

accuracy. As with most work in the Division, the research on supercritical

fluids involves both experimental and theoretical work.

The most visible projects in the Division's supercritical work are two

which grew out of a three-year program supported by a consortium of fourteen

chemical and energy firms. J.F. Ely and J.W. Magee are working on carbon

dioxide rich mixtures with the goal of developing a more accurate and general

form of Dr. Ely's model, DDMIX, for near critical mixtures. The work includes

extensive PVT measurements using the newly automated isochoric apparatus which

Dr. Magee has developed for this project. In a related project, also

supported by an industrial consortium, Dr. Ely is devloping global models for

single phase and VLE of supercritical mixtures, with emphasis on polar

compounds. With J . R. Fox , he is completing the development of a high accuracy

equation of state for carbon dioxide which uses Dr. Fox's rescaling to improve

derived property predictions. In a companion project, P.C. Albr igh

t

and J. V.

Sengers formulated a scaled, fundamental equation of state for carbon dioxide

in the critical region which provides for "crossover" from nonanalytic to

analytic behavior. A review on the subject of "crossover" has been prepared

by Drs. Sengers and Level t Sengers . A theoretically satisfactory solution to

the "crossover" problem is of great importance to the construction of reliable

thermodynamic surfaces for fluids and mixtures.

J. S Gallagher and J.M.H . Level t Sengers have completed work on impurity

effects in the equation of state for the isobutane- isopentane system, including the extended critical region, which builds on previous work on impurity

effects in ethylene. The effects are large and nonlinear in concentration

near the mixture critical line. In related work, R.F. Chang developed a non- classical treatment of impurity effects, working out the power law dependence

of partial molar volume, activity coefficient, and derived properties.

Applications of the dilute mixture work to near-critical aqueous electrolyte

solutions has been explored. J.C. Rainwater has developed a very generalized

technique for accurately modeling LVE for a large class of mixtures from the

32
critical line down to at least half the critical pressure. G.C. Nielson , working with Dr. Levelt Sengers, has modeled supercritical solubility using a doubly decorated lattice gas which maps the properties of the solution onto

the pure solvent. The model has been fitted to solubility data for three

systems at a number of temperatures. All of this work has an obvious relation

to research on aqueous solutions and is intimately tied to that research.

E . J . Clark has started experiments on the solubility of high molecular

weight polyethylene in hydrocarbon and halocarbon solvents. Three-phase

systems have been observed over the range of temperatures investigated to date

Related theoretical work involves J.M.H . Levelt Sengers (with P. Meijer and

I.L. Pegg of Catholic University) use of the Flory-Huggins model to predict

global phase diagrams and tricriticality.

T. J. Bruno has designed, constructed, tested, and placed in operation a supercritical fluid chromatograph (SFC) specifically designed to measure

diffusion coefficients at infinite dilution. The carrier is carbon dioxide

and data have been obtained for the carbon dioxide-naphthalene system. During

the developmental period, a number of highly useful innovations were introduced by Dr. Bruno including chromatographic vortex cooling, SFC injection

from fluids adsorbed on glass, miniature contact thermometers for temperature

control , etc

.

Interfacial Properties and Behavior

The purposes of this program are to experimentally study surface tension

near critical points; to 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; and to test the validity of

proposed theories for interfacial phenomena and wetting. The ubiquitous

occurrence of wetting layers has been demonstrated by research which began in

the Thermophysics Division in 1980. It is generally recognized that wetting

layers will be of concern in careful measurements of any thermophysical

property of coexisting fluid phases. We have recently published an extensive

review of the role of nonequilibrium phenomena in determining the thicknesses

of the wetting layers which have been measured in certain recent experiments.

We expect that wetting layers will play an important role in the behavior of

fluids in porous media.

M. R. Moldover and J.W. Schmidt have measured the interfacial tension of

three binary liquid mixtures near their consolute points. The mixtures were triethylamine + water, triethylamine + heavy water, and methanol + cyclohexane

The data were used to estimate the "universal amplitude ratios" which relate

the interfacial tension to the specific-heat divergence and to the correlation

length near critical points. The new measurements used a method (pendant

drop) that had not been used near critical points before. The new measurements confirm the conflict between the experimental and theoretical amplitude

ratios. The amplitude ratios for a wide variety of fluid systems, including

polymer solutions, are mutually consistent and in the most favorable cases have an accuracy approaching + 5%. Surprisingly, the experimental amplitude

ratios do not agree with recent theoretical estimates from Monte Carlo simulations of the Ising Model or from calculations based on renormalization-group

ideas. Nevertheless, the experimental amplitude ratios can be used for

33
predicting the interfacial tension when the correlation length amplitude is

known or when the heat capacity amplitude is known.

J.W. Schmidt and M. R. Moldover have systematically studied the transition

from incomplete wetting to complete wetting at the liquid-vapor interface

above mixtures of alcohols (methanol through hexanol) and a fluorocarbon

( per f luorome thylcyclohexane ) . Above the transition temperature, fluorocarbon

layers (~ 200 nm thick) spread across the liquid-vapor interface. Below the

transition temperature, the excess fluorocarbon on the interface is less than

one monolayer. The consolute temperatures of these mixtures are almost independent of the type of alcohol; however, the wetting temperatures decrease

dramatically as heavier alcohols are used. This demonstrates that the occurrence of complete wetting in these mixtures is not associated with the

proximity to the consolute point, contrary to widely held views. The wetting

transition in the mixtures with isopropanol was studied in particular detail.

Drs . Moldover and Schmidt established that this transition is first order, even when studied at very high resolution.

The ellipticity of the liquid-vapor interface was measured above mixtures

of cyclohexane with methanol and with deuterated methanol. Upon deuteration

the methanol-rich phase becomes heavier than the cyclohexane-rich phase.

Below the consolute temperature, the methanol-rich phase forms at the liquidvapor interface; however, its thickness is limited by the Rayle igh-Taylor

instabil ity

.

P.C. Albright , R.F. Kayser and M.R. Moldover have been engaged in the

development of a theory to model the increase in surface tension which occurs when a flat interface is confined to a small area. The calculation is

relevant to supported liquid phase catalysis and to certain schemes for

tertiary oil recovery. Recently the theory has been generalized to the case where the interface is in the form of a small sphere. The relevance of this

generalization to nucleation problems is being investigated. An experiment to

test the effects of confinement upon interfacial tension has been designed.

The experiment uses an idealized geometry in which an interface is confined

between parallel plates whose separation is varied in a precisely measured way

in the range 1-4 ym.

R.F. Kayser is studying the relationship between wetting layers and intermolecular forces. Specifically, the studies involve the possible role of

dispersion forces in the formation of wetting layers on walls above a liquidvapor meniscus. Experimental results contradict theoretical calculations of

the thickness of these layers. In an effort to resolve this obvious gap in

understanding, Langmuir's theory for the role of ionic forces in the formation

of wetting layers of water on glass was generalized to mixtures of polar and

nonpolar liquids. Experimental tests of the theory are planned.

Dr. Fransisco Guzman, of Metropolitan University in Mexico City, spent a sabbatical year in the Thermophysics Division studying the relationship

between the stability of transient foams and wetting transitions near liquid-liquid phase boundaries in several multicomponent liquid mixtures. A

characteristic feature of liquid-liquid phase transitions is that, as the

critical point is approached, one phase intervenes between the other and the

surroundings - the walls of a container or the vapor over the liquid phases.

It has been suggested that a jump in the stability of transient foams near the

34
phase transition locus could be explained by the prewetting transition. Dr.

Guzman set up an experiment to measure the height of a foam head as a function of the rate of flow of a spectator gas bubbled through the liquid

phase. By changing the composition of the mixtures and by changing the

temperature, the region near the phase boundary could be studied in great

detail. The results showed partial wetting up to the critical point and that

the stability of foams did display quite characteristic and elaborate behavior

near the phase transition line. Concurrent with the foaming experiments, the

thickness of surface layers was measured by using the ellipsometer constructed

by J.W. Schmidt

G . Morrison , H A. Davis and I .L. Pegg have completed the development of a film balance. The balance is composed of four parts: a water trough for

containing the films; a sensor for measuring the surface tension difference

between a clean-water reference surface and the surface containing the film; a stepper motor mechanism for changing the surface area accessible to the film;

and, finally, the computer that runs the instrument, and records and processes

data. The design of the sensor, a silicon fiber strain gage, and the interfacing of the instrument to the personal computer are the important innovations

in this instrument. Use of the strain gage gives the instrument a usable

sensing range of 0.03-30.0 mN/m.

During the past year, two phenomena in monomolecular films have been

explored. The first was a study of the phase transition between two "liquid"

phases in the film, the "liquid-expanded" and "liquid-compressed" states; the

transition was shown to be first order. The second project was the detection

of "liquid-vapor" transitions in the films, transitions that occur at very low

"pressures" and very dilute surface concentrations.

The film balance will be used over the next year for a detailed study of

the phase transition between the " 1 iquid- 1 ike" phases and to study "liquidliquid" immiscibilities in mixed monolayers. These experiments are designed

to answer several fundamental questions about the nature of the monomolecular

film. Measurements will also be performed on biological films during the next

year .

Over the past three and a half years, G^ Morrison , R.F. Chang , J ,M.

Kincaid and I .L. Pegg have been involved in a project to explore the effect of

huge surface- to-volume ratios on liquid-vapor phase equilibrium in mixtures;

systems such as mists, fogs, clouds, aerosols and sprays fall into this class.

Because settling of the droplets impedes the long-time study of such systems,

it was anticipated that this study would lead to a microgravity experiment;

this work has been supported in part by NASA. In recent experiments, water

mists dispersed in an immiscible liquid such as toluene were found to be

stable for hours and the droplet motion slowed considerably, allowing study

with techniques such as laser Doppler velocimetry. If our NASA proposal is

approved, we shall continue our work on these dispersed systems.

Transport Properties of Fluids and Fluid Mixtures

In recent years industry has become increasingly aware that transport

properties play a significant role in process design, and that accurate

knowledge of these properties can lead to substantial economic benefit.

35
Thermophysics Division work on transport properties of fluids encompasses the

development of new measurement techniques, the utilization of advanced

apparatuses to obtain accurate data for transport properties, correlation of

available transport property data, theoretical studies of kinetic and

transport theory, and the development of wide-range predictive models for

transport properties.

In the area of viscosity measurements, R . F . Berg and M. R . Mol dove

r

have

developed a torsion oscillator to measure the viscosity of fluids at moderate

temperatures (-100°C to 100°C) at pressures to 10 MPa at very low frequencies

(0.5 Hz) and shear rates (0.05/s). The oscillator is part of a NASA sponsored

project for testing the theory of dynamic critical phenomena by means of

viscosity measurements in microgravity environments. In addition to the development of a zero-gravity version of the viscometer, measurements have been

made on a microemulsion and two mixtures of alkali metals (with A. Voronel of

Tel Aviv University). The microemulsion exhibits an unusual viscosity

increase which corresponds to an observed electrical conductivity increase.

The alkali metals, which have freezing temperatures as low as -80°C, show

viscosity increases at least three times what is seen at room temperature.

D ,E . Dil ler (working with L. Van Poolen of Calvin College) has measured

the shear viscosities of compressed gaseous and liquid carbon dioxide + ethane

mixtures and their pure components with a torsional crystal viscometer at

temperatures between 210-320 K and at pressures to 30 MPa. The measurements

have been compared to the extended corresponding states model with results

similar to those for other mixtures we have examined in the past. The

dependences of the fluidity (reciprocal of viscosity) on volume, temperature,

and composition have also been examined.

D ,E . Diller (with N.V. Frederick ) has developed and is now testing a high

temperature (600 K), high pressure (70 MPa) torsional crystal viscometer using

argon and methane, for which good data are available in the literature. The

viscometer makes use of a special high purity quartz for good performance at

high temperatures and tungsten springs for suspending the crystal. The

measurement system is partially automated. Tests on argon and methane at

300 K are nearly complete. Most of the measurements are within 2% of the best

literature values. Similar tests will soon begin at 500 K, the upper

temperature limit of most viscosity data for compressed gases.

In the area of thermal conductivity measurements, the transient hot wire

method is recognized today as the method of choice for accurate measurements

of the thermal conductivity of fluids. H ,M. Roder developed a low temperature

apparatus which was completed several years ago. It incorporates a long and a compensating short hot wire in different arms of a Wheatstone bridge with

control and data logging accomplished by a microcomputer. Roder and D .G.

Friend have measured complete surfaces for the thermal conductivity of oxygen,

methane, ethane, and me thane- ethane mixtures, and partial surfaces for a number of other substances. The physical states measured include the dilute

gas, the moderately dense gas, the compressed liquid up to 70 MPa, vapor at

temperatures below critical, and a portion of the critical region. The

experiment is unique in that one can demonstrate the onset of convection

experimentally. Dr. Friend worked with Roder on the mixture measurements and

the results clearly show the existence of critical enhancement for the me thane -ethane system. Friend is continuing work on the development of a

36
mixture transport model which is theoretically based and can be used for

prediction purposes.

At the present time H.M. Roder is developing (with C. Nieto de Castro of

Lisbon University) a new apparatus, which will raise the upper temperature

limit from 330 K to 775 K. At the same time they have been improving the

automation and the resistance measurement in the low temperature system. The

immediate goal is to obtain both thermal diffusivity and thermal conductivity

from a single experiment. Further into the future, Roder expects to develop a system with coated or insulated wires that allow measurement of polar

substances and mixtures.

J.F. Ely is developing theoretically based predictive models for the

transport properties of fluid mixtures (emphasis on hydrocarbon and related

mixtures) over broad ranges of temperature, pressure, and composition. The

work includes the development of the TRAPP computer code, currently distributed by the NBS Office of Standard Reference Data, and which predicts

density, thermal conductivity, and viscosity of hydrocarbon mixtures. An

expanded version which includes phase equilibria, derived properties, and an improved representation of high density viscosity is in the final stages of

development

.

J.C. Rainwater and D.G. Friend are working on kinetic theory, with

emphasis on the development of a more rigorous and usable theory to predict

the viscosity, thermal conductivity, and diffusion coefficients of moderately

dense gases. In this area also, a new computer model has been developed to

calculate dilute gas collision integrals.

J.V. Sengers (in collaboration with J.C. Nieuwoudt of the University of

Maryland and B. Le Neindre and R. Tufeu of CNRS , France) has developed

predictive models for the transport properties of isobutane. Dr. Sengers has

also developed similar equations for the transport properties of carbon

dioxide, with W.A. Wakeham of Imperial College and J.T.R. Watson of NEL

,

Glasgow. D.G. Friend , B . A. Younglove , J.F. Ely and H. J.M. Hanley are developing correlations and predictive models for the transport properties of

hydrocarbons

.

Thermophysical Measurements by Dynamic Methods

The goal of this program is to develop and utilize techniques which are capable of highly accurate measurements of thermal, optical, and electrical

properties of technically important materials at high temperatures using very

high heating rates. Experimental capabilities include millisecond techniques

which allow measurements of heat capacity, thermal expansion, electrical

resistivity, phase transition points and latent heats, emissivity, etc;

microsecond techniques for measuring therraophys ical properties at heating

rates of 10^-10® K/ s ; and millisecond techniques for such measurements in a microgravity environment. Plans for the immediate future include the

development of dynamic techniques for measurements on nonconducting materials

and theoretical studies of dynamic measurement techniques. The program is

under the technical direction of A^ Cezairliyan .

37
A. Cezair 1 iyan and A. P Miiller have completed measurements of the

radiance temperature (at 655 nm) of graphite at its triple point using the

millisecond-resolution system. The experiments were performed with a pressurized specimen chamber at 20 MPa. The specimen heating rate was about

3 x 105 K/s. The measurements, which are believed to be the most accurate

made so far in the world, yield a value of 4330 + 50 K for the radiance

temperature. Work will continue on measurements at other wavelengths with the

objective of determining the true triple point temperature of graphite. The

triple point of graphite is the highest known solid-liquid transition point

and is a potential candidate to become a thermometry fixed point.

A. Cezairliyan , J .L . McClure and M. S . Morse have completed the development and testing of a novel microsecond technique for the measurement of

thermal properties of high-melting-point, electrically conducting materials.

This marks the culmination of extensive research performed during the past ten

years. The new microsecond-resolution system is about 1000 times faster than

the millisecond system, permitting heating of specimens at rates of

10^-10® K/s and to temperatures considerably above the melting point of the

specimens (up to about 6000 K). The technique utilizes a 20 kV capacitor

discharge system and an ultra-fast photoelectric pyrometer specifically

developed for this project. This system, unique of its kind in the world, has

just recently been used to measure heat of fusion, heat capacity, and electrical resistivity of niobium around its melting point with unprecedented

accuracy. Research will continue to extend the measurements to higher temperatures and to other refractory materials, and to investigate nonequilibrium

phenomena

.

A. Cezairliyan , A.P. Miiller and M.S . Morse are conducting research to

develop a system for the measurement of thermophysical properties of liquid

electrically conducting substances at high temperatures (above 2000 K) in a microgravity environment. Efforts were concentrated in the study of the

geometrical stability of the liquid specimen when heated rapidly by the

passage of an electrical current pulse through it in a near- zero-gravity

environment. Diagnostic experiments were performed this past year on board a KC-135 aircraft operated by NASA. The experiments on board the aircraft were conducted by P. Giarratano of the Chemical Engineering Science Division in

Boulder. Definite excursions in the liquid phase could be seen from the

results of the high-speed films and the pyrometric recordings. In order to

improve the geometrical stability of the specimen, a triaxial configuration

for the specimen and the current leads was studied and an experimental chamber

designed. This arrangement would enable balancing of the surface tension and

the electromagnetic forces on the specimen. Preparations are underway to

perform experiments in KC-135 aircraft utilizing the new chamber.

In somewhat related work, R.A. MacDonald and R.D . Mountain (working with

J.E. Callanan, S.A. Sullivan, and K.M. McDermott of the Chemical Engineering

Science Division) have conducted theoretical studies using the experimental

results of Callanan et al . , for the heat capacity of premium coal samples.

The work is aimed at providing a predictive model for thermal properties of

coal and similar heterogeneous materials. An existing kinetic model for the

loss of volatile matter has been compared with the experimental data, for both

premium and oxidized samples of coal, and the results are quite dramatic.

Related work by Drs . Mountain and MacDonald, which models the stability of

type II gas hydrates, is also collaborative with the Chemical Engineering

Science Division.

38
5. HONORS AND AWARDS

James F. Ely

Thomas J. Bruno

- Special Award for Excellence in Technology Transfer,

from the Federal Laboratory Consortium for work on supercritical fluid properties, May 1986.

Department of Commerce, Silver Medal Award for

outstanding creativity in developing theoretically based

predictive models for the thermophysical properties of

fluids, November 1986.

- Department of Commerce, Bronze Medal Award for

oustanding leadership in characterizing and measuring

the thermophysical properties of reacting fluids,

December 1986.

Raymond D. Mountain - Appointed an NBS Fellow, July 1986.

6. PUBLICATIONS

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. Thermophys., Vol. 7, No. 1, pp. 75-85 (1986).

Albright, P.C. and Kayser, R.F., A finite-size effect on the surface tension

of liquid droplets, Phys . Rev. A, submitted.

Albright, P.C., Edwards, T.J. and Sengers, J.V., A scaled fundamental equation

for the thermodynamic properties of carbon dioxide in the critical

region, J. Chem. Phys., submitted.

Amar , J.G. and Mountain, R.D., Molecular dynamics study of a supercooled

soft-sphere fluid, J. Chem. Phys., in press.

Baltatu, M.E., Hanley, H.J.M. and Olien, N.A., Thermophysical properties data

bases; a realistic assessment, to be published in Mech. Engr'g. (Spring

1987).

Berg, R.F. and Moldover, M.R. , Viscometer for low frequency low shear rate

measurements, Rev. Sci. Instr., Vol. 57, No. 8, pp . 1667-1672 (1986).

Berg, R.F. and Moldover, M.R. , Viscosity measurements near a critical point

using a novel torsion oscillator, Int. J. Thermophys., Vol. 7, No. 3,

pp. 675-686 (1986).

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

use, J. Chem. Educ., Vol. 63, No. 5, p. 452 (1986).

Bruno, T.J. and Svoronos , P.D.N., Basic tables for chemical analysis, Nat.

Bur. Stand. (U.S.) Tech. Note 1096 (Apr. 1986).

39
Bruno, T.J. and Hume, G.L., Hydrogen component fugacities in binary mixtures

with carbon dioxide, Int. J. Thermophys . , Vol. 7, No. 5, pp. 1053-1063

( 1986).

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

mixtures with propane and methane, Int. J. Thermophys., Vol. 7, No. 5,

pp. 1033-1051 (1986).

Bruno, T.J., Laboratory scale electrodeposition, J. Chem. Educ., Vol. 63,

No. 10, p. 883 (1986).

Bruno, T.J. and Sheperd, J.G., Miniature mercury contact switch for chromatographic applications, Anal. Chem., Vol. 58, No. 3, p. 672 (1986).

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

instrument temperature control, J. Res. Nat. Bur. Stand. (U.S.), Vol. 91,

No. 3, pp . 131-133 (May-June 1986).

Bruno, T.J. and Straty, G.C., Thermophysical property measurement on chemically reacting systems - A case study, J. Res. Nat. Bur. Stand.

(U.S.), Vol. 91, No. 3, pp. 135-138 (May-June 1986).

Bruno, T.J., Vortex cooling for subambient temperature gas chromatography,

Anal. Chem., Vol. 58, p. 1596 (1986).

Bruno, T.J., Vortex refrigeration of HPLC components, Liq. Chromatogr.,

Vol. 4, No. 2, pp. 134-136 (1986).

Bruno, T.J., Catalytic cracking detection for gas chromatography, to be

published in Anal. Chem.

Bruno, T.J., Hydrogen component fugacities in binary mixtures with carbon

dioxide: Pressure dependence, Int. J. Thermophys., in press.

Bruno, T.J., and Schroeder, J.A. , Hydrogen component fugacities in binary

mixtures with ethane: Temperature dependence, Int. J. Thermophys., in

press .

Bruno, T.J., Indicating rupture disk for gas cylinders, J. Chem. Educ., in

press .

Bruno, T.J., Laboratory applications of the vortex tube, J. Chem. Educ., in

press .

Calado, J.C.G., Mardolcar, U.V., DeCastro, C.A.N., Roder, H.M. and Wakeham,

W.A., The thermal conductivity of liquid argon, to be published in

Physica

.

Callanan, J.E., Sullivan, S.A. and MacDonald, R.A. , Experimental

determinations of thermal properties of coal in varying atmospheres:

Specific heats and desorption of water, Int. J. Thermophys., submitted.

Cezairliyan, A., Pulse calorimetry, Chapter in book: Specific Heat of Solids,

McGraw Hill, New York, NY, in press.

40
Chaar, H., Moldover, M.R. and Schmidt, J.W., Universal amplitude ratios and

the interfacial tension near consolute points of binary liquid mixtures,

J. Chem. Phys . , Vol. 85, p. 418 (1986).

Chang, R.F. and Levelt Sengers , J.M.H., Behavior of dilute mixtures near the

solvent's critical point, J. Phys. Chem., Vol. 88, No. 16, p. 3389

(1986).

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. Thermophys . , Vol. 7, No. 2, pp . 295-304

( 1986).

Diller, D.E. and Ball, M.J., Shear viscosity coefficients of compressed

gaseous and liquid carbon dioxide at temperatures between 220 and 320 K

and at pressures to 30 MPa, Int. J. Thermophys., Vol. 6, No. 6, pp

.

619-629 (1985).

Diller, D.E., Van Poolen, L.J. and Santos, F.V., Measurements of the

viscosities of compressed gaseous and liquid carbon dioxide + ethane

mixtures, to be published in J. Chem. Eng. Data.

Eaton, B.E., Analysis of laminar vortex shedding wake behind a circular

cylinder by computer aided flow visualization, to be published in J. Fluid Mech

.

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

with large size ratios, Int. J. Thermophys., Vol. 7, No. 2, pp. 281-393

(1986).

Ely, J.F., An equation of state model for pure CC>2 and CO 2 rich mixtures,

Proc. of 65th Annual Convention of the Gas Proc. Assoc. (Gas Proc.

Assoc., pp. 185-192, Mar. 1986).

Ely, J.F., Improved mixing rules for one-fluid conformal solution calculations, in Chapter 16 of book: Equations of State: Theories and

Applications, ACS Symposium Series No. 300, Ed. by K.C. Chao and R.L.

Robertson, Jr., pp . 331-350 (1986).

Erpenbeck, J.J. and Kincaid, J.M., Calculation of the mutual diffusion

coefficient by equilibrium and nonequilibrium molecular dynamics, Int. J. Thermophys., Vol. 7, No. 2, pp . 305-317 (1986).

Evans, D.J. and Ely, J.F., Viscous flow in the stress ensemble, to be

published in Mol. Phys.

Friend, D.G.and Roder, H.M. , The thermal conductivity surface for mixtures of

methane and ethane, Int. J. Thermophys., in press.

Gallagher, J.S., An equation of state for isobutane-isopentane mixtures with

corrections for impurities, Int. J. Thermophys., Vol. 7, pp. 923-934

(1986).

41
Gallagher, J.S., The modeling of impurity effects in pure fluids and fluid

mixtures, J. Chem. Eng. Data, in press.

Gallagher, J.S. and Rumble, J.R. , Documentation of NBS Standard Reference

Database 10 — Thermophysical properties of water, documentation sheet

distributed with database, in press.

Haar, L. and Gallagher, J.S., Thermodynamic values near the critical point of

water, High Temperatures — High Pressures, in press.

Haar, L. and Gallagher, J.S., Thermodynamic values in the vicinity of the

specific volume anomaly for water, Proc. of Intern. Conf. on the

Properties of Steam, in press.

Hamad, E.Z., Mansoori, G.A. and Ely, J.F., Conformality in the Kirkwood-Buff

solution theory of statistical mechanics, J. Chem. Phys . , accepted for

publication

.

Hanley, H.J.M., Perspectives in nonequilibrium molecular dynamics, Proc.

Enrico Fermi School on Computer Simulation, North Holland, in press.

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

dioxide, Adv. Cryo. Eng., Vol. 31, pp . 1199-1204 (1986).

Hieuwoudt, J. , LeNeindre, B., Tufeu, R. and Sengers, J.V., Transport

properties of isobutane, J. Chem. Eng. Data, in press.

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

without adjustable parameters: a test application of the

Hulburt-Hirschfelder potential to argon, Chem. Phys., Vol. 99, pp

.

383-388 (1985).

Holland, P.M., Biolsi, L. and Rainwater, J.C., Theoretical calculation of the

transport properties of monatomic lithium vapor, J. Chem. Phys., Vol. 85,

No. 7, pp. 4011-4018 (1986).

Hubbard, J.B. and Stiles, P.J., Hydrodynamics of magnetic and dielectric

colloidal dispersions, J. Chem. Phys., Vol. 84, p. 6955 (1986).

Hubbard, J.B., Non-equilibrium theories of electrolyte solutions, Chapter in

book: N.A.T.O. Advanced Study Institute Proceedings, Physics and

Chemistry of Aqueous Ionic Solutions, Ed. by G. Nerilson and M.C.

Bellissent-Funel , in press.

Hubbard, J.B. and Wolynes , P.G., Theories of solvated ion dynamics, Chapter in

book: Physics of Ionic Solvation, Ed. by J. Ulstrup, North Holland

Publishers, in press.

Jahangiri, M. , Jacobsen, R.T., Stewart, R.B. and McCarty, R.D., Thermodynamic

properties of ethylene from the freezing line to 450 K at pressures to

260 MPa, Int. J. Thermophys . , Vol. 7, No. 3, pp . 491-501 (1986).

Kayser, R.F., Effect of surface ionization on wetting layers, Phys. Rev.

Lett., Vol. 56, p. 1831 (1986).

42
Kayser, R.F., The effect of capillary waves on surface tension, Phys. Rev. A,

Vol . 33, p. 1948 (1986).

Kayser, R.F., Wetting of a binary liquid mixture on glass, Phys. Rev. B,

Vol. 34, p. 3254 (1986).

Kayser, R.F., Moldover, M.R. and Schmidt, J.W., What controls the thicknesses

of wetting layers?, Transactions of the Faraday Society, in press.

Kestin, J. , Imaishi, N., Nott, S .H . , Nieuwoudt, J.C. and Sengers, J.V.,

Viscosity of light and heavy water and their mixtures, Physica, Vol.

134A, pp. 38-58 (1985): Vol. 136A, p. 617 (1986).

Kestin, J., Sengers, J.V., Nieuwoudt, J.C., Imaishi, N. and Nott, S .H .

,

Viscosity of light and heavy water and their mixtures, Physica,

submi tted

.

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.

Kincaid, J.M., Cohen, E.G.D. and deHaro , M.L., The Enskog theory for

multicomponent mixtures, IV. Thermal diffusion, J. Chem. Phys., in

press

.

Lee, S.H., Rasaiah, J.C. and Hubbard, J.B., Molecular dynamics study of a dipolar fluid between charged plates, J. Chem. Phys., Vol. 85, p. 5232

(1986).

Lee, S .H . , Rasaiah, J.C. and Hubbard, J.B., Molecular dynamics study of a dipolar fluid between charged plates II, J. Chem. Phys., in press.

Levelt Sengers, J.M.H., Straub, J., Watanabe , K. and Hill, P.G., Assessment

of critical parameter values for H 2O and D 2 O, J. Phys. Chem. Ref. Data,

Vol. 14, No. 1, PP . 193-207 (1985).

Levelt Sengers, J.M.H., Chang, R.F. and Morrison, G., Nonclassical description

of (dilute) near-critical mixtures, in book: Equations of State: Theories

and Applications, Ed. by K.C. Chao and R.L. Robinson, Jr., ACS Symposium

Series 300, p. 110 (1986).

Levelt Sengers, J.M.H., Morrison, G., Nielson, G., Chang, R.F. and Everhart,

C.M., Thermodynamic behavior of supercritical fluid mixtures, Int. J.

Thermophys., Vol. 7, No. 2, pp. 231-243 (1986).

Levelt Sengers, J.M.H., Dilute mixtures and solutions near critical points,

Proc. of Conf. on Fluid Properties and Phase Equilibria for Chem. Process

Des ign , in press .

Levelt Sengers, J.M.H., Everhart, C.M., Morrison, G. and Pitzer, K.S.,

Thermodynamic anomalies in near-critical aqueous NaCl solutions, Chem.

Eng. Comm., in press.

43
Linsky, D. and Levelt Sengers , PVT of 90% I sobutane- 10% Isopentane - a geothermal working fluid, Proc. of 9th Conf. on Thermophysical

Properties, ASME , Boulder, Colorado, June 1985, Int . J. Thermophys . , in

press .

Linsky, D., Sengers, J.M.H. Levelt and Davis, H.A., A semi-automated PVT

facility for fluids and fluid mixtures, Rev. Sci. Inst., in press.

MacDonald, R.A., Callanan, J.E. and Sullivan, S.A., Effect of water loss on

the heat capacity of coal, High Temperatures-High Pressures, Vol. 17,

No. 3, pp. 387-394 (1985).

MacDonald, R.A. and Shukla, R.C., Thermodynamic properties of BCC crystals at

high temperatures: The transition metals, Phys . Rev. B, Vol. 32, No. 8 , pp. 4961-4968 (1985).

MacDonald, R.A., Shukla, R.C. and Kahaner, D.K., Thermodynamic properties of

BCC metals, High Temperatures-High Pressures, Vol. 17, pp. 665-670

(1985).

Magee, J.W. and Kobayashi, R., Isochoric (p,pn,T) measurements on (0.2005 H£ + 0.7995 CH4 ) at temperatures from 140 to 273.15 K and pressures to 70 MPa,

J. Chera. Thermodyn., Vol. 18, pp . 847-858 (1986).

Magee, J.W. and Ely, J.F., Specific heats (Cv ) of saturated and compressed

liquid and vapor carbon dioxide, Int. J. Thermophys., Vol. 7, No. 6 , pp. 1163-1182 (1986).

McCarty, R.D., Interactive FORTRAN programs for micro computers to calculate

the thermophysical properties of twelve fluids [MIPROPS], Nat. Bur.

Stand. (U.S.) Tech. Note 1097 (May 1986).

McCarty, R.D., Extended corresponding states as a tool for the prediction of

the thermodynamic properties of mixtures, Int. J. Thermophys., Vol. 7,

No. 4, pp. 901-910 (1986).

McCarty, R.D., Steurer, H.U. and Daily, C.M., The thermodynamic properties of

nitrogen tetroxide, Nat. Bur. Stand. (U.S.) NBSIR 86-3054 (July 1986).

Mehl , J.B. and Moldover, M.R., Measurement of the ratio of the speed of sound

to the speed of light, Phys. Rev. A, Vol. 34, No. 4, pp. 3341-3344

(1986).

Miiller, A.P. and Cezairliyan, A., Thermal expansion of molybdenum in the

range 1500-2800 K by a transient interferometric technique, Int. J. Thermophys., Vol. 6 , No. 6 , pp. 695-704 (1985).

Miiller, A.P., Theory of specific heat of solids, Chapter 1 in book: Specific

Heat of Solids, Vol. 1-3, McGraw-Hil l/CINDAS , New York, NY, in press.

Miiller, A.P. and Cezairliyan, A., High-speed interferometric method for

measuring thermal expansion of solids at high temperatures, Chapter 10 in

book: Thermal Expansion of Solids, Vol. 1-4, McGraw-Hil l/CINDAS

,

New York, NY, submitted.

44
Moldover, M.R. , Interfacial tension near critical points and two-scale- fac tor

universality, Phys . Rev. A, Vol. 31, No. 2, pp . 1022-1033 (1985).

Moldover, M.R., Mehl, J.B. and Greenspan, M. , Gas-filled spherical

resonators - theory and experiment, J. Acoust. Soc. Amer., Vol. 79,

pp. 253-272 (1986).

Moldover, M.R., Low gravity experiments in critical phenomena, Opportunities

for Academic Research in a Low-Gravity Environment, Amer. Inst. Aero, and

Astronaut., Ed. by G. Hazellrigg and J. Reynolds, in press.

Morrison, G., The importance of including the liquid phase in equations of

state for non-azeotropic refrigerant mixtures, ASHRAE Trans., Vol. 91,

p. 260 (1985).

Morrison, G. and McLinden, M.O., Two refrigerant mixtures and the hard sphere

fluid, ASHRAE Trans., Vol. 91, p. 929 (1985).

Morrison, G., Sengers, J.M.H. Levelt, Chang, R.F. and Christensen, J.J.,

Thermodynamic anomalies in supercritical fluid mixtures, in book:

Supercritical Fluids Technology, Ed. by J.M.L. Penninger, M. Radost, M.A.

McHugh and V.J. Karkonis, Elsevier, Amsterdam, The Netherlands (1986).

Morrison, G. and McLinden, M. , Application of a hard-sphere equation of state

to refrigerants and refrigerant mixtures, Nat. Bur. Stand. (U.S.)

Tech. Note, in press.

Morrison, G. and McLinden, M. , Application of a modified hard sphere

equation of state to mixtures of refrigerant materials, Symp. on Working

Fluids, ASME , Dec. 1986, submitted.

Morrison, G., Phase equilibrium in a hydrocarbon-like polydisperse fluid,

Chem. Eng. Comm., submitted.

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).

Mountain, R.D., Mazo, R.M. and Volwerk, J.J., Molecular dynamics simulation

study of a two-dimensional fluid mixture system: A model for biological

membranes, Chem. & Phys. of Liquids, Vol. 40, pp . 35-45 (1986).

Mountain, R.D., Molecular dynamics study of compositional order in a binary

fluid mixture, Molecular Phys., in press.

Mountain, R.D. and Birnbaum, G., Molecular dynamics study of intercol 1 is iona

1

interference in collision induced absorption in compressed fluids,

Faraday Society Discussion, in press.

Mountain, R.D. and Thirumalai, D., Relaxation of anisotropic correlations in

(two component) supercooled liquids, Phys. Rev. Lett., in press.

Mountain, R.D., Mulholland, G.W. and Baum, H. , Simulation of aerosol

agglomeration in the free molecular and continuum regimes, J. Colloid.

Interface Sci., in press.

45
Mulholland, G.W. and Mountain, R.D., On the applicability of Smuluchowski '

s

equation with a constant kernel to coalescence, J. Chem. Phys., Vol. 84,

pp. 4109-4110 (1986).

Nicoll, J.F. and Albright, P.C., Background fluctuations and Wegner

corrections, Phys. Rev. B, submitted.

Nielson, G.C. and Levelt Sengers , J.M.H., Decorated lattice gas model for

supercritical solubility, J. Phys. Chem., submitted.

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, Int. J. Thermophys., Vol. 7, No. 3,

pp. 599-608 (1986).

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

cylinders and the effects of finite compressibility, Int. J. Thermophys., Vol. 6, No. 6, pp . 595-605 (1985).

Rainwater, J.C. and Williamson, F.R., Vapor-liquid equilibrium of near- critical binary alkane mixtures, Int. J. Thermophys., Vol. 7, No. 1,

pp. 65-74 (1986).

Raveche, H.J. and Mountain, R.D., On the relative stability of dense

crystalline packings, Phys. Rev. B, Vol. 31, p. 7446 (1985).

Roder, H.M. and Friend, D.G., Thermal conductivity of methane-ethane mixtures

at temperatures between 140 and 330 K and at pressures up to 70 MPa, Int.

J. Thermophys., Vol. 6, No. 6, pp . 607-617 (1985).

Roder, H.M. and C.A. Nieto de Castro, Thermal conductivity of ethane at

temperatures between 110 and 325 K and pressures to 70 MPa, High

Temperatures-High Pressures, Vol. 17, pp. 453-460 (1985).

Romig, K.D. and Hanley, H.J.M., Calculation of phase equilibria in nitrogenethane by extended corresponding states, Cryogenics, Vol. 26, pp. 33-38

(1986).

Romig, K.D. and Hanley, H.J.M., Shear induced phase changes in mixtures, Int.

J. Thermophys., Vol. 7, No. 4, pp. 877-886 (1986).

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 (1985).

Schmidt, J.W., A stabilized vapor liquid interface in deuterated

cyclohexane-methanol mixtures, J. Chem. Phys., Vol. 85, p. 3631 (1986).

Schmidt, J.W. and Moldover, M.R., A search for the prewetting line, J. Chem.

Phys., Vol. 84, p. 4563 (1986).

Schmidt, J.W. and Guzman, F., On the surface properties of the mixture water + phenol, J. Phys. Chem., submitted.

46
Sengers, J.V., Levelt Sengers , J.M.H. and Kamgar-Pars i , 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).

Sengers, J.V. and Levelt Sengers, J.M.H. , Thermodynamic behavior of fluids

near the critical point, Ann. Rev. Phys . Chem., Vol. 37, in press.

Stiles, P.J. and Hubbard, J.B., Polarization diffusion and dielectric friction

in polar liquids II, Chem. Phys., Vol. 94, p. 7 (1985).

Stiles, P.J., Kagan, M. and Hubbard, J.B., Frictional torque on a sphere

rotating in a uniformly magnetized ferrofluid, J. Colloid. Interface

Sci., in press.

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

temperatures to 300°C, Int . J. Thermophys., Vol. 7, No. 5, pp. 1077-1089

( 1986).

Straty, G.C., Ball, M.J. and Bruno, T.J. , PVT measurements on benzene at

temperatures to 723 K, to be published in J. Chem. Eng. Data.

Sullivan, F. , Mountain, R.D. and O'Connell, J. , Molecular dynamics on vector

computers, J. Comp. Phys., Vol. 61, pp . 138-153 (1985).

Sullivan, F. and Mountain, R.D., An efficiant algorithm for the Brownian

dynamics simulation of aggregation, Comp. Phys. Comm., in press.

Trevino, S.F. and Tsai, D.H., Simulation of the intiation of detonation in an energetic molecular crystal, the overdriven case, Eighth Symp. (Int.) on Detonation, July 15-19, 1985, Albuquerque, NM, submitted.

Wheeler, J.C., Morrison, G. and Chang, R.F., A thermodynamic paradox

associated with nonchemical critical phenomena in mixtures, J. Chem.

Phys., Vol. 873, p. 5837 (1985 ).

Woolley, H.W., Ideal gas thermodynamic functions for water, J. Res. Nat. Bur.

Stand. (U.S.), in press.

Younglove, B.A. and Hanley, H.J.M., Transport properties of argon, J. Chem.

Phys. Ref. Data, in press.

7 . TALKS

Berg, R.F., Measurements of the Viscosity of Fluids near a Critical Point,

Institute for Physical Science and Technology, University of Maryland,

College Park, MD , Nov. 2, 1985 .

Berg, R.F., Accurate Viscosity Measurements Very Close to Critical Points,

PACE/NASA Symposium, National Academy of Sciences, Washington, DC,

Mar. 12, 1986.

47
Berg, R.F., The Critical Viscosity

American Physical Society 1986

1986.

Exponent for Binary Liquid Mixtures,

Spring Meeting, Washington, DC, Apr. 30 ,

Berg, R.F., Viscosity of Fluids near Critical Points, Physics Department,

Catholic University, Washington, DC, Sep. 25, 1986.

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

Division, NBS/CCE, Gaithersburg, MD , Feb. 27, 1986.

Bruno, T.J., Direct Fugacity Measurements on Hydrogen Mixtures, Gas Research

Institute, Thermophysical Properties Workshop, San Antonio, TX, Mar. 13,

1986.

Cezairliyan, A., Research at NBS on Dynamic Measurements of Thermophysical

Properties at High Temperatures, 19th International Thermal Conductivity

Conference, Tennessee Technology University, Cookeville, TN, Oct. 22,

1985.

Chang, R.F., Behavior of Dilute Mixtures near the Solvent's Critical Point,

American Institute of Chemical Engineers Spring Meeting, New Orleans, LA,

Apr. 8, 19 86.

Diller, D.E., Viscosities of Fluids at Low Temperatures and High Pressures,

University of Lisbon, Lisbon, Portugal, June 23, 1986.

Ely, J.F., An Overview of Thermophysicsl Property Research at NBS-Boulder,

Exxon Engineering Research, Florham Park, NJ, Oct. 31, 1985.

Ely, J.F., Development of Predictive Models for Polar /Nonpolar Mixtures,

Exxon Engineering Research, Florham Park, NJ, Oct. 31, 1985.

Ely, J.F., Development of Corresponding States Theories for Mixtures

Containing Polar and Nonpolar Species, Air Products and Chemicals,

Allentown, PA, Nov. 1, 1985.

Ely, J.F., An Equation of State Model for Pure CO 2 and CO 2 Rich Mixtures,

65th Annual Gas Processors Association Conv., San Antonio, TX,

Mar. 10-12, 1986.

Ely, J.F., An Overview of NBS Research on Carbon Dioxide Rich Mixtures, 65th

Annual Gas Processors Association Conv., San Antonio, TX, Mar. 10-12,

1986.

Ely, J.F., Development of an Improved Mean Density Approximation for Mixtures

with Large Size Differences, Gas Research Institute Thermophysical

Properties Workshop, San Antonio, TX, Mar. 13-14, 1986.

Ely, J.F. and Kidnay, A.J., Hydrocarbon Vapor-Liquid Equilibria, American

Institute of Chemical Engineers Spring Meeting, New Orleans, LA, Apr. 8,

1986.

Fox, J.R., Transformation Between Classical and Nonclassical Equations of

State, STATPHYS 16, Boston University, Boston, MA, Aug. 11, 1986.

48
Guzman, F., Improved Foam Stability Measurements near a Liquid-Liquid Phase

Transition, Thermophysics Division Colloquium, NBS/CCE, Gaithersburg, MD

,

Aug. 26, 1985.

Hubbard, J.B., Diffusion-Limited Annihilation Reactions, Boston College,

Boston, MA, Jan. 30, 1986.

Hubbard, J.B., Non-Equilibrium Theories of Electrolyte Solutions (a series of

four lectures), N.A.T.O. Advanced Study Institute, Cargese , France,

June 23, 1986.

Kayser, R.F., Effect of Capillary Waves on Surface Tension, 54th Statistical

Mechanics Meetings, Rutgers University, New Brunswick, NJ, Dec. 19, 1985.

Kayser, R.F., Wetting Layers in Confined Geometries and on Ionizable

Substrates, Thermophysics Division Colloquium, NBS/CCE, Gaithersburg, MD

,

Jan. 14, 1986.

Kayser, R.F., Wetting Layers in Confined Geometries and on Ionizable

Substrates, Department of Chemistry, Ohio State University, Columbus, OH,

Jan. 21, 1986.

Kayser, R.F., Surface Tension in Confined Geometries, 2nd University of

California Conference on Statistical Mechanics, University of California,

Davis, CA, Mar. 28, 1986.

Kayser, R.F, Debye-Huckel Theory near a Critical Point, Thermophysics Division

Colloquium, NBS/CCE, Gaithersburg, MD , Apr. 7, 1986.

Kayser, R.F., Wetting Layers: Theory and Experiment, University of Maryland

Statistical Physics Seminar, University of Maryland, College Park, MD

,

Apr. 22, 1986.

Kayser, R.F., Wetting of a Binary Liquid Mixture on Glass, Washington Area

Statistical Mechanics Meeting, National Bureau of Standards,

Gaithersburg, MD , May 6, 1986.

Kayser, R.F., Finite Size Effects on Surface Tension, NBS Staff Research

Seminar, National Bureau of Standards, Gaithersburg, MD , May 16, 1986.

Kayser, R.F., Wetting Layers on Ionizable Substrates, Gordon Conference on Chemistry at Interfaces, Meriden, NH, July 24, 1986.

Kayser, R.F., Wetting Layers on Ionizable Substrates, Department of Chemical

Engineering, Rensselaer Poly technical Institute, Troy, NY, Aug. 5, 1986.

Levelt Sengers, J.M.H., Near-Critical Aqueous Electrolyte Solutions,

Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM

,

Feb. 3, 1986.

Levelt Sengers, J.M.H., Dilute Mixtures and Solutions near Critical Points,

4th International Conference on Fluid Properties and Phase Equilibria for

Chemical Process Design, LO-Skolen, Denmark, May 14, 1986.

49
Levelt Sengers , Aqueous Solutions near the Critical Point of Water,

Gordon Conference on Water and Aqueous Solutions, Colby-Sawyer College,

NH, Aug. 5, 1986.

Levelt Sengers, J.M.H., Dilute Near-Critical Mixtures and Aqueous Electrolyte

Solutions, Van der Waals Laboratory, University of Amsterdam,

Netherlands, Sep. 16, 1986.

Levelt Sengers, J.M.H., Dilute Near-Critical Mixtures and Aqueous Electrolyte

Solutions, Institute for Physical Chemistry, Ruhr Univers itae t , Bochum,

W. Germany, Sep. 26, 1986.

McCarty, R.D., The Equation of State for Natural Gas - A Review of Fifteen

Years of Progress, Chemical Engineering Science Division Colloquium,

NBS/CCE, Boulder, CO, May 16, 1986.

McCarty, R.D., Extended Corresponding States as Applied to Mixtures, 4th

International Workshop on Equations of State, University of Idaho,

Moscow, ID, Aug. 7, 1986.

Miiller, A.P., A Dynamic Method for Thermophysical Measurements in a Microgravity Environment, The Metallurgical Society 1986 Annual Meeting,

New Orleans, LA, Mar. 3, 1986.

Moldover, M.R. , Phase Equilibria in the Critical Region, Instituto de

Desarrollo Technologico para la Industria Qumica (INTEC), Santa Fe

,

Argentina, Nov. 8, 1985.

Moldover, M.R., Phase Equilibria in the Critical Region, PLAPIQUE, Bahia

Blanca, Argentina, Nov. 15, 1985.

Moldover, M.R. , Wetting, Multilayer Adsorption, and Interface Phase

Transitions, Department of Chemistry, University College, London,

England, Dec. 11, 1985.

Moldover, M.R. , Spherical Acoustic Resonators at NBS : Theory and Experiment,

National Physical Laboratory, Teddington, England, Dec. 13, 1985.

Moldover, M.R., What Controls the Thickness of Wetting Layers? Faraday

Symposium No. 20, Physical Chemistry Laboratory, University of Oxford,

London, England, Dec. 18, 1985.

Moldover, M.R. , Optical Studies of Interfaces, Department of Physics, Temple

University, Philadelphia, PA, Apr. 7, 1986.

Moldover, M.R. , Wetting Layers and Interface Phase Transitions, Haverford

College, Haverford, PA, Sep. 24, 1986.

Moldover, M.R. , Accurate Measurement of the Universal Gas Constant, R, Using

an Acoustic Resonator, Haverford College, Haverford, PA, Sep. 25, 1986.

Morrison, G., Impurity Extractions by Droplets, PACE/NASA Symposium, National

Academy of Sciences, Washington, DC, Mar. 12, 1986.

50
Mountain, R.D., Computer Simulation Study of Fluid Mixture Phase Separation in

Films, American Institute of Chemical Engineers, Chicago, IL , Nov. 11,

1985.

Nielson, G.C., A Decorated Lattice Gas Model for Supercritical Solubility,

Statistical Physics Colloquium, Catholic University, Washington, DC,

Apr. 4, 1986.

Paulaitis, M.E., Multiphase Behavior in Ternary Mixtures at Elevated

Pressures, Chemical Engineering Science Division Colloquium, NBS/CCE,

Boulder, CO, Apr. 25, 1986.

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

University, Ithaca, NY, Sep. 26, 1986.

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 K-7 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.J. Clark

ASTM E44 Committee on Solar Energy (Member)

ASTM G3 Committee on Durability of Nonmetallic Materials (Member)

D.E. Diller

ASTM D-3 Committee on Gaseous Fuels, Thermophysical Properties

Subcommittee (Member)

J .F . E ly

AIChE Program Committee Area 1-a, Thermodynamics and Transport

Properties (Chairman)

51
Gas Processors Association Data Book Revision Committee (Member)

NBS Research Advisory Committee (Member)

Boulder Computer Users Group (Member)

D.G. Friend

Boulder Editorial Review Board (Member)

L. Haar

International Association for Properties of Steam, Working Group I,

Equilibrium Properties (Member)

International Union of Pure and Applied Chemistry Subcomittee on Thermodynamic Properties of Ammonia (Member)

NBS Library Committee (Member)

NBS Editorial Review Board (Member)

H.J.M. Hanley

ASME Thermophysical Properties Committee (Member)

International Union of Pure and Applied Chemistry Committee on Quantum

Fluids (Member)

J.B. Hubbard

NBS Colloquia Committee (Member)

N.A.T.O. Advanced Study Institute Publication Committee (Member)

J.M. Kincaid

NBS Storeroom Committee for ADP (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)

G. Morrison

Subcommittee on Estimation of Thermal Properties, Design Institute for

Physical Property Data of the AIChE (Member)

52
R.D. Mountain

NBS Library Subject Specialist Committee (Member)

NBS User Committee for Scientific Computing (Chairman)

N.A. Olien

ASTM D-3 Committee on Gaseous Fuels (Member)

ASTM E-49 Committee on Computerization of Material Property Data (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 )

Meeting Program Chairman, AIChE National Meeting, Denver, CO, Aug. 21-24,

1988

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)

J.V. Sengers

ASME K-7 Research Committee 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 )

International Review Panel to evaluate the F.O.M. - scientific program on molecular physics in The Netherlands (Member)

B.A. Younglove

Thermophysics Division Hazards Review Committee (Member)

53
EDITORSHIPS

T.J. Bruno

Handbook, Basic Tables for Chemical Analysis, CRC Press (Co-editor with

P.D.N. Svoronos)

A. Cezairliyan

Book, Compendium on Thermophysical Properties Measurement Methods, Plenum

(Editor

)

Book, Specific Heat of Solids, McGraw-Hill (Editor)

International Journal of Thermophysics (Editor-in-Chief)

Journal of High Temperature Science (Editorial Board)

Journal of High Temperatures-High Pressures (Editorial Board)

H.J.M. Hanley

NBS Journal of Research (Boulder Editor)

International Journal of Thermophysics (Editorial Board)

W.M. Haynes

Cryogenics (U.S. Advisory Editor)

A.P. Miiller

Book, Specific Heat of Solids, McGraw Hill (Coeditor)

N.A. Olien

Journal of Physical and Chemical Reference Data (Editorial Board)

J.V. Sengers

Physica A (Editorial Board)

International Journal of Thermophysics (Editorial Board)

Royal Dutch Academy of Science (Correspondent)

9. PROFESSIONAL INTERACTIONS

FACULTY APPOINTMENTS

T.J. Bruno

Adjunct Associate Professor, Department of Chemical Engineering and

Petroleum Refining, Colorado School of Mines

54
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

M.R. Moldover

Adjunct Professor, Institute for Physical Sciences and Technology,

University of Maryland

J.C. Rainwater

Associate Professor Adjoint, Department of Physics, University of

Colorado

INDUSTRY

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 and collaboration with member

companies involved: Air Products and Chemicals, Inc., ARCO Transportation Company, Bessemer Reciprocating, Enron, Gas Processors Association,

Mobil Research and Development Corporation, Phillips Petroleum Company,

Shell Development Company, SOHIO, and Ingersol 1 -Rand Company, on measurement and prediction of fluid properties.

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.

J.W. Magee

Collaboration with steering committee of industrial consortium whose

member companies are: ARCO Transportation Company, Bessemer Reciprocating, Gas Processors Association, Mobil Research and Development Corporation, Enron, Phillips Petroleum Company, and Ingersoll-Rand Company, on measurements of C02~rich mixture properties.

55
M.R. Moldover

Collaboration with J. Huang, Exxon Research and Engineering Company,

Florham Park, NJ, on measurements of transport properties of

microemulsions

.

J.C. Rainwater

Collaborative research with P.M. Holland, Proctor & Gamble, Cincinnati,

OH, on transport properties of fluids.

ACADEME, NATIONAL LABORATORIES AND GOVERNMENT

T.J. Bruno

Cooperative research with D.E. Martire, Department of Chemistry,

Georgetown University, Washington, DC, on supercritical fluid

chromatography

.

Coauthor of books on analytical chemistry with P.D.N. Svoronos, City

University of New York, NY.

A. Cezairliyan

Cooperative research with the Italian Metrology Institute, Torino, Italy,

on melting point measurements.

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.

D.E. Diller

Cooperative research with C.A. Nieto de Castro and F. dos Santos,

University of Lisbon, Lisbon, Portugal, on development of a high pressure

(300 MPa) viscometer for liquids.

Cooperative research with L. Van Poolen, Engineering Department, Calvin

College, Grand Rapids, MI, and C.A. Nieto de Castro and F. dos Santos,

Instituto Superior Tecnico, Lisbon, Portugal, on measurements of

viscosity of compressed gaseous and liquid mixtures.

J.F. Ely

Cooperative research with T. Leland and D. Erickson, Department of

Chemical Engineering, Rice University, Houston, TX, on hard sphere

expansion theory for polar and nonpolar fluid mixtures and rescaling of

classical equations of state.

56
Cooperative research with A. Mansoori, Department of Chemical

Engineering, University of Illinois, Chicago, IL, on local composition

models and Kirkwood-Buff theory for fluid thermodynamic behavior.

Cooperative research with K.R. Hall, Thermodynamic Research Center, Texas

A&M , College Station, TX, on new correlations of saturation properties of

pure fluids.

Cooperative research with D.J. Evans, Research School of Chemistry,

Australian National University, Canberra, Australia, on computer

s imulat ion

.

H.J.M. Hanley

Cooperative research with A.J. Kidnay, Department of Chemical Engineering

and Petroleum Refining, Colorado School of Mines, Golden, CO, on properties of coal liquids.

Cooperative research with S. Hess, Department 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

.

Cooperative research with N. A. Clark, Department of Physics, University

of Colorado, Boulder, CO, on behavior of colloidal suspensions.

Cooperative research with R. Hay ter, Oak Ridge National Laboratory, Oak

Ridge, TN, on neutron scattering from liquids.

W.M. Haynes

Cooperative research with J.C. Holste, Department of Chemical

Engineering, Texas A&M, College Station, TX, on thermophysical properties

of fluids.

Collaborative research with R. Masui, National Research Laboratory of

Metrology, Japan, on fluid densimetry.

Cooperative research with D.W. Kupke , Department 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.B. Hubbard

Collaboration with P.J. Stiles, Macquarie University, Australia, and

H. Brenner, M.I.T., Boston, MA, on hydrodynamics of magnetic and

dielectric colloidal suspensions.

57
Collaboration with P.G. Wolynes , University of Illinois, Urbana, IL, on theories of solvated ion dynamics.

Collaboration with J. Rasaiah and S.H. Lee, University of Maine, Orono

,

ME, and R. Rubin, NBS/CCP, Gaithersburg, MD, on diffusion-controlled

reaction kinetics - theory and computer simulations.

Collaboration with A. McCammon, University of Houston, Houston, TX, on

the internal dynamics of proteins.

Collaboration with H. Friedman, SUNY, Stony Brook, NY, on the statistical

physics of electrolyte solutions.

J.M. Kincaid

Cooperative research with J. Erpenbeck at Los Alamos Scientific

Laboratory, Los Alamos, NM, on computer simulation of transport processes

in fluids.

Cooperative research with E.G.D. Cohen and M. Lopez de Haro of

Rockefeller University, New York, NY, on kinetic theory.

Collaboration with J.K. Percus , Courant Institute, New York University,

New York, NY, on theories of interfaces.

J.M.H. Levelt Sengers

Received NATO grant jointly with J. de Swaan Arons, University of Delft,

Netherlands, to study and model near- and supercritical polymer

solutions. Collaborators L. Clark, P.H.E. Meijer, I. Pegg and C. Peters

(Delft )

.

Joint paper with K.S. Pitzer, University of California, Berkeley, CA, on properties of near-critical aqueous salt solutions.

Joint proposals with P. Meijer and I. Pegg, Catholic University,

Washington, DC, in the area of polymer solutions. Collaborator L. Clark,

Consultant M. McHugh, Johns Hopkins University, Washington, DC.

Collaboration with R. Fernandez-Prini , CNEA, Argentina. R. FernandezPrini is planning to send a coworker as guest scientist to NBS

.

Collaboration with J. Straub, University of Munchen, Munchen, West

Germany, to formulate the refractive index of water and steam in terms of

the HGK equation. J. Straub will send a student to do this work at NBS.

Collaboration with W. A. Wakeham, Imperial College, London, England,

R. T. Jacobsen, University of Idaho, Moscow, Idaho, R. McCarty, NBS/CCE,

Boulder, CO, and J.V. Sengers, NBS/CCE, Gaithersburg, MD , to publish an IUPAC book on the properties of ethylene.

R.A. MacDonald

Collaboration with J.M. Kincaid, Dept, of Mech . Eng., SUNY, Stony Brook,

NY, on thermodynamics of multicomponent and polydisperse mixtures.

58
Collaboration with J.E. Callanan, S.A. Sullivan, and K.M. McDermott,

NBS/CCE, Boulder, CO, on heat capacity of coal.

J.W. Magee

Cooperative research with R. Koybayashi, Department of Chemical

Engineering, Rice University, Houston, TX, on measurements of fluid

mixture properties.

Cooperative research with L. Van Poolen, Engineering Department, Calvin

College, Grand Rapids, MI, on liquid volume fractions.

R.D. McCarty

Collaborative research with R.T. Jacobsen, Department 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, Department of Mechanical

Engineering, University of Idaho, Moscow, ID, on ethylene properties.

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, Newark, DE , on acoustic measurements in gases.

Collaboration with R. Gammon, University of Maryland, College Park, MD

,

on measurements of transport properties near critical points.

G. Morrison

Collaboration with J.C. Wheeler, University of California, San Diego, CA, on the origin of several "paradoxical" features of phase diagrams near "non-classical" critical points in mixtures.

Collaboration with J.M. Kincaid, Dept, of Mech . Eng., SUNY, Stony Brook,

NY, on the thermodynamics of polydisperse systems.

Collaboration with D.A. Didion, M.O. McLinden, and B. Mahajan, NBS/CBT,

Gaithersburg, MD, on refrigerant mixture properties and modeling.

R.D. Mountain

Collaboration with P.K. Basu of the University of the District of

Columbia, Washington, DC, on liquid state studies.

Collaboration with M. Klein, National Research Council of Canada, Ottawa,

Canada, on gas hydrate studies.

59
N.A. Olien

Joint Chairmanship of Symposium on Thermodynamics for Bioseparations at

November 1987 AIChE National Meeting with Professor Carol Hall,

Department of Chemical Engineering, North Carolina State University,

Raleigh, NC.

J.C. Rainwater

Collaborative research with S. Hess, Department of Physics, Technical

University of Berlin, West Germany, on theory of non-Newtonian liquids.

Cooperative research with L. Biolsi, Department of Chemistry, University

of Missouri, Rolla, MO, on transport properties of fluids.

Cooperative research with L. Van Poolen, Engineering Department, Calvin

College, Grand Rapids, MI, on liquid volume fractions of mixtures.

Collaborative research with W.B. Kay, Department of Chemical Engineering,

Ohio State University, Columbus, OH, on vapor-liquid equilibrium of

binary mixtures.

Collaborative research with R.T. Jacobsen, Center for Applied

Thermodynamic Studies, University of Idaho, Moscow, ID, on the

coexistence surface of air.

Collaborative research with J.A. Zollweg, School of Chemical Engineering,

Cornell University, Ithaca, NY, on vapor-liquid equilibrium of binary

mixtures

.

H.M. Roder

Cooperative research with W.A. Wakeham, Department of Chemical

Engineering, Imperial College, London, England, on thermal conductivity

of fluids.

Cooperative research with C.A. Nieto de Castro and U.V. Mardolcar,

Department of Chemistry, University of Lisbon, Portugal, on measurements

of thermal conductivity.

Cooperative research with J. Venart and R.C. Prasad, Department 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 fluid

properties

.

Cooperative research with R. Hayter, Oak Ridge National Laboratory, Oak

Ridge, TN, on neutron scattering.

60
10. CONFERENCES, WORKSHOPS, AND SEMINARS

CONFERENCES

International Symposium on Fluid Flow Measurement, 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.

WORKSHOPS

Working Group A, International Association for Properties of Steam, held at

Dusseldorf, FRG , Sept. 21-26, 1986. Chaired by J.M.H. Levelt Sengers, who

also coorganized a one-day workshop on aqueous systems during this week.

SEMINARS

F. Larche , Physics Department, University of Montpellier, Montpellier, France:

Phase Behavior and Organized Structures in a Ternary Surfactant-Water-Alcohol

Solution, Oct. 23, 1985.

S. Finke, Chemical Engineering Department, Ohio State University, Columbus,

OH: Recent Phase Behavior Studies at Ohio State University, An Experimental

Overview, Oct. 28, 1985.

D. Beyssens, Service de Physique du Solide, Saclay, France: Adsorption

Phenomena in a Binary Fluid using Silica Spheres, Nov. 7, 1985.

B.M. Law, Institute for Physical Science and Technology, University of

Maryland, College Park, MD: Are Current Theories of Wetting Correct?,

Nov. 27, 1985.

B. Volintine, Chemical Engineering Department, Rensselaer Polytechnic

Institute, Troy, NY: Interfacial Heat Transfer, Dec. 5, 1985.

D. Roux, Exxon Research and Engineering Company, Annandale , NJ: Critical

Behavior and Spinodal Decomposition in Microemulsions, Dec. 9, 1985.

D. Beysens , Service de Physique du Solide, Saclay, France: Recent Progress in

Probing Wetting Layers by Means of Silica Colloids, Jan. 27, 1986.

P.B. Balbuena, Universidad Nacional del Litoral, Santa Fe , Argentina: Calculations of VLE near Critical Points using Scaling EOS Combined with Van der

Waals Type EOS, Feb. 12, 1986.

S.W. Churchill, University of Pennsylvania, Philadelphia, PA: Computation of

3-Dimensional Natural Convection in Enclosures, Feb. 21, 1986.

B.U. Felderhof, Institut fur Theoretische Physik, Technische Hochschule

Aachen, W. Germany: Hall Effect in Water, Mar. 10, 1986.

J.P.M. Trusler, University College, London, England: Redetermination of the

Gas Constant, Mar. 26, 1986.

61
V. Steinberg, Weizmann Institute of Science, Rehovot, Israel: Experiments on Convection in Binary Fluid Mixtures Heated from Below, Mar. 31, 1986.

M. E. Paulaitis, Department of Chemical Engineering, University of Delaware,

Newark, DE : Multiphase Behavior in Ternary Mixtures at Elevated Pressures,

Apr. 23, 1986.

G. Grimvall, Department of Theoretical Physics, The Royal Institute of

Technology, Stockholm, Sweden: Thermophysical Properties - Can Theoretical

Calculations be an Alternative to Direct Measurements?, May 2, 1986.

N. N. Li, Separation Science and Technology, Signal Research Center, Des

Plaines, IL : Future Separation Technologies, May 30, 1986.

G. Chou, Chemical Engineering Department, University of California at Berkely,

Berkeley, CA: Developments in Continuous Thermodynamics, June 9, 1986.

R. Guy, University of California, San Francisco, CA: Interfacial Transport:

Rotating Diffusion Cell and Capillary Tube Techniques, June 13, 1986.

J.A. Schouten, Van der Waals Laboratory, University of Amsterdam, Amsterdam,

Netherlands: Visual Observation of Phase Separations in Fluid Mixtures,

June 20, 1986.

H. Cabezas, Jr., Chemical Engineering Department, University of Arizona,

Tucson, AZ: Fluctuation Solution Theory Models of Electrolyte and Biopolymer

Solutions, June 23, 1986.

E. Gulari, Chemical Engineering Department, Wayne State University, Detroit,

MI: Supercritical Extraction and Light Scattering in Polymer Solutions,

June 27, 1986.

E.S.R. Gopal , Instrumentation and Service Unit, Indian Institute of Science,

India: Critical Wetting Phenomena, July 28, 1986.

C. Franck, Physics Department, Cornell University, Ithaca, NY: Wetting

Experiments of Binary Liquid Mixtures on Solid Substrates, Aug. 22, 1986.

A. Voronel, Physics Department, Tel Aviv University, Ramat Aviv Israel:

Freezing of Alkali Metal Alloys, Sep. 2, 1986.

A. Voronel, Physics Department, Tel Aviv University, Ramat, Aviv, Israel:

Structural Phase Transitions in Alkali Metal Alloys, Sep. 4, 1986.

B. Smit, Chemical Technology, Technical University Delft, Holland: Thermodynamic Modeling of the Water-Oil-Surfactant System using the 2-suffix Margules

Equation, Sep. 9, 1986.

G. Ernst, University of Karlsruhe, W. Germany: Experimental Determination of

the Specific Heat Capacity of Water at Temperatures between 25°C and 400°C and

Pressures between 200 bar and 500 bars, Sep. 10, 1986.

62
S. Abraraowitz, NBS , Center for Chemical Physics, Gaithersburg, MD : Biotechnology Research in the NBS-Center for Chemical Physics, Sep. 15, 1986.

P.E. Phillips

,

Immunity, Sep.

Professional Nutrition Services, Boulder, CO: Nutrition and

26, 1986.

63
TECHNICAL ACTIVITIES

OF THE

CHEMICAL PROCESS METROLOGY DIVISION

J.J. Ulbrecht, Chief

1. INTRODUCTION

A common denominator of all research projects carried out in the Chemical

Process Metrology Division in this past fiscal year was a sustained effort to

bring the research output closer to the needs of the chemical and related

industries

.

Emphasis has been placed on employing the principles of engineering

science to develop new techniques for process sensing, diagnostics and

metrology and to obtain new data for process control and process design.

The current mixture of research projects consists of some new projects

and some continuing ones . The measurement of flow birefringence by guided

microwaves and the numerical simulation of chemically reacting flows are some of the new ventures started this past year. Both projects hold promise for a wide application of their respective results, the former particularly in the

polymer and coating technologies, the latter in high temperature reactions.

Significant progress is being reported in a number of continuing

projects. Optical diagnostic techniques for bioreactors have been used to

identify a sequence of amino acids in dipeptides and polypeptides. The

construction of the plug flow reactor has been completed and the fluidized bed

reactor is being tested for the incineration of chlorinated hydrocarbons. A new experimental technique has been developed to study formation of silica

particles in flames , and we expect to extend this work to include gas phase

diagnostics for microcircuit fabrication.

New and exciting results were obtained in applying the laser tomographic

technique to transient processes. The three-dimensional reconstruction of the

reaction field revealed some features of coherent turbulent structures not seen before. Also the particle and droplet diagnostic technique has come of

age and new data were obtained.

Last year, after some delays, the new surface analytical facility came on stream. During the past year, this facility was extensively used to study some

of the surface characteristics of tin oxide and iridium oxide. Among the

features studied is the unusual semicrystalline form of iridium oxide that

makes this material suitable for ionic sensing. In the future, we expect this

sensing material to have broad application in all chemical reactions involving

exchange of protons.

Two of our existing projects reached the stage of prototype testing: the

RF sensor for the measurement of solids fraction in flowing slurries was tested under plant conditions and the spectroscopic temperature probe is being

readied for plant tests at the time of the writing of this report. Results

obtained so far are encouraging and a successful completion of these two

projects can be expected soon.

- 64 -
Among the projects successfully completed was the upgrade of all

calibration facilities. This project required major concentration of material

and human resources and its completion represents a significant achievement.

The Division has been striving to develop and maintain all possible forms

of technology transfer. Industrial consortia have been one of the most

successful forms of this transfer and the "Installation Effects" consortium

has attracted a substantial membership. The results are reported in the main

body of this report.

The Division continued providing calibration services in mass and

volumetric flow, air speed, humidity, volume and liquid density to industrial

and public clients across the country. The recent upgrading of these

facilities will make it possible to serve the U.S. industry even better.

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 reaction.

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.

A key element in the pursuit of this goal is the study of the surface,

transport, and kinetic phenomena in the environment of sensing and diagnostic

tools

.

It is further recognized that process measurement is the key component of

any process control loop, the proper function of which is essential to

maintaining the highest quality of manufactured goods and, in turn, 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-the-art

calibration services for flow, volume, density, humidity and air speed, thus

providing industry and other government agencies with traceability of their

instrumentation to national standards and thus assuring equity in domestic and

international trade.

- 65 -
3. GROUP FUNCTIONS

* 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 is primarily focused on flow phenomena in confined flows as well

as in free surface flows in geometries pertinent to the technologies used in

the chemical and related industries.

The Fluid Flow Group maintains responsibility for the fluid flow rate and

airspeed calibration services and for the maintenance and upgrading of the

relevant national standards. The Group is responsible for the transfer of

fluid flow measurement technology to industry and to public institutions.

* Multiphase Reacting Flows Group - A.K. Gaigalas, Group Leader

The mission of the Multiphase Reacting Flows Group is 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 for on-line

process diagnostics, and (3) develop mathematical models for improved

understanding and control of physical, chemical, and biochemical processes.

Particular emphasis is placed on the development of advanced diagnostic

techniques utilizing electromagnetic and acoustic fields and electrochemical

phenomena

.

The Multiphase Reacting Flows Group bears the responsibility for NBS

calibration services in liquid density and volume.

* High Temperature Reacting Flows Group - H.G. Semerjian, Group Leader

The High Temperature Reacting Flows Group conducts fundamental research

on chemically reacting flows, especially those with gas-solid reactions

involving solid particles either formed or entrained. The research includes

advanced optical, non- intrusive measurement techniques for high temperature

reactors such as combustors and fluidized bed reactors.

Particular emphasis is on the use of laser scattering and extinction

techniques for particle characterization, on laser tomography for temperature

and composition measurement, laser induced fluorescence (LIF) , and emission

spectroscopy for temperature measurement.

The scattering/extinction techniques are being adopted for the study of

gas-solid chemical reactions relevant to chemical vapor deposition, and to

ceramics and powder metallurgy.

A significant segment of the research activities in this group is the

extension of the LIF techniques to optical diagnostics of species (nutrients,

substrates, metabolic intermediates, and products) in biochemical reactors.

- 66 -
A new laboratory facility has been completed to study transport and

reaction rates in multiphase flow systems relevant to pyrolysis and oxidation.

* Process Sensing Group - J.R. Whetstone, Group Leader

The Process Sensing Group performs research directed toward the

development of process sensors with particular emphasis on solid state sensors

for chemical species, humidity and temperature. Reactive sputtering is used

to form films and a comprehensive surface analytical facility is used to

characterize the surfaces of these films where the chemical reaction takes

place

.

For gas sensing, the focus of the research is on tin oxide films while

iridium oxide forms the backbone of the work on ionic sensors. Further, thin

film thermocouples deposited on metal, ceramic and polymer substrates are the

subject of study.

A study to develop optimization and standardization of methodology for

collection of samples of water, air, and soil is an integral part of the

research effort in this group.

The Process Sensing Group is responsible for providing the NBS

calibration services for humidity and for the maintenance of the humidity

national standard.

4. SELECTED PROJECT SUMMARIES

CALIBRATION SERVICES

Calibration and Test Services Performed

by the Chemical Process Metrology Division

G.E. Mattingly, A.K. Gaigalas , K.G. Kreider

In the past year, the CCE calibration services have satisfied industry

and government requests for a number of metrological tasks in the areas of

fluid flowrate, liquid density and volume, air speed, and humidity

measurements. Additionally, the techniques and facilities for performing

these services have been upgraded so that the levels of measurement

uncertainty are quantified and reported for publication in the appropriate

literature. In the specific calibration services offered to U.S. industry,

activities are summarized as follows:

Service Number of Items Calibrated

Flowrate

Volumetric Containers

Aerodynamic Devices

Reference Standard Hydrometers

Humidity

29 (29 for industry)

55 (53 for industry)

83 (58 for industry)

2 (2 for industry)

47 (31 for industry)

These calibrations generally establish a traceability link between the

respective calibration requester and NBS. In this way, these calibrations

form a basis for the assurance of all the measurements produced in the

requester's laboratories.

- 67 -
Besides these services a number of in-situ calibrations were performed by

NBS personnel in the customer's laboratories. 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 last year, NBS has responded to a DoD request for a round-robin

flow measurement program to be designed and carried out to check flowmeter

calibration facility performance in Army, Navy, and Air Force labs. This

program, requested for hydrocarbon liquids, has been designed for several sets

of tandem turbine meters. Specific test procedures have been developed and

approved by the DoD labs so that Youden analyses can be used to analyze the

data and to quantify lab performances. The program, once established and

demonstrated, will be used on a continuing basis to maintain desired control

of these measurement processes. In this manner, realistic flow measurement

traceability will be established and maintained for the participating labs.

FLUID FLOW GROUP

Flowmeter Installation- Effects Research

G.E. Mattingly, T.T. Yeh

An NBS-DoE funded flowmeter research program on installation- effects

progressed to the point of attracting participation of industry through a consortium that has been formed to assist in supporting this program.

Benefits to consortium participants are guiding current and future phases of

the work and receiving results on a timely basis. The consortium has grown to

thirteen meter manufacturers and users - U.S. and foreign. Research results

are intended to upgrade or to initiate useful installation specifications for

flowmetering standards by implementing a new strategy to achieve this goal.

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 specific upstream piping configuration) for which

uncertainty levels on meter factors are to be increased by specified amounts.

Through this conventional approach, little was learned or understood of the

salient features of the pipeflow profiles involved. The currently adopted

strategy focuses on these profiles, specifically, measures them using Laser

Doppler Velocimetry (LDV) , and characterizes them and their changes with

distance from the piping configuration.

With these results, and the associated understanding, a number of

limited, 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 pertinent pipeflow characteristics. In

this way, meters can be installed in any locations where their performance is

satisfactorily stable and meter factors or discharge coefficients are satisfactorily 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 installations

previously considered non- ideal and for which no current standards are applicable

.

- 68 -
In the past year, extensive LDV profiling has been done in two- inch

(50 mm) diameter, cylindrical pipeline water flows. Results for diametral

Reynolds numbers of 10^ and 10"5

, and a relative roughness of 0.0005, show that

the selected elbows - out- of -plane configuration generates severe and complex

swirl. This swirl initially resides off the pipe centerline and only in the

regions near the pipe walls. (These results indicate that a specialized flow

conditioning element may effectively eliminate or significantly reduce this

swirl before it diffuses over the entire cross-sectional area of the pipe.)

In the piping downstream from this configuration, the severe swirl, initially

near the pipewall, is found to diffuse over the pipe cross-section and "spinup" the center core region of the pipeflow. Following this, the swirl

distribution diffuses with downstream distance, but this process requires

considerable lengths of pipe. For our selected smooth pipe conditions, this

swirl produces "swirl angle" (velocity vector inclination) levels of up to 3°

at 95 diameters from the perturbing configuration.

For three different types of flowmeters (orifice, turbine, and vortex

shedder) the methodology of our research was demonstrated. The success level

varied for the different types of flowmeter. Greater success was found with

the turbine meter. In spite of enormous shifts produced in its meter factor

by the severe swirl, limited calibration results ( with the understanding

produced via our LDV measurements ) enabled accurate predictions to be made for

its meter factor in "non- ideal" installations. Less success was attained with

the other types of meters.

It is concluded that this strategy for producing improved flowmeter

installation specifications can be very effective. Successive phases of the

research, if supported at current levels, can continue to produce analogous

results for commonly used piping configurations so well known to disrupt

"ideal" meter performance. It is also concluded that results of this program

can be very useful in designing and installing efficient flow conditioners for

reducing or eliminating such anomalous pipef lows

.

MULTIPHASE REACTING FLOWS GROUP

Measurement of Birefringence at Microwave Frequencies

A.K. Gaigalas , J.J. Ulbrecht

The purpose of this project is to design and fabricate a sensor with

sufficient sensitivity to detect small dielectric differences associated with

two directions in an anisotropic material. The motivation for this research

is in the need to develop an on-line measurement of viscoelasticity in

polymers, in polymer composites, and in other materials with preferred

orientation

.

A hairpin line was selected because theoretical considerations showed

that its propagation characteristics are very sensitive to the properties of

the material on top of the line. By placing two hairpin lines oriented at

right angles to each other, in a flow of polymeric material, it should be

possible to detect flow induced anisotropy in the dielectric constant and

hence the normal stress. The main effort was in modeling of the hairpin line

response. Since the hairpin line is a bandpass device and since the width <>: the bandpass is a sensitive function of the coupling between adjacent stri;

in the hairpin line, it is crucial that the theoretical description of tin

- 69 -
coupling is accurate. At this point we have tried the thin line approximation

to describe the hairpin line. The model predicts the frequency of the center

of the bandpass, but the prediction of the bandpass width is not very

accurate. The work is continuing to build a better model and concurrently to

fabricate hairpin lines with progressively larger conductor strip densities.

Interaction of Microwaves with Cells

S. Woo, A.K. Gaigalas

A study is being carried out on the interaction of cells with reactive

species produced by radio frequency discharges. Atomic species of oxygen,

hydrogen, and nitrogen are known to react vigorously in the presence of

organic compounds hence it is expected that glow discharge will adversely

affect cellular structure. Preliminary work has shown that exposure to glow

discharge caused cell death. Work continues to separate ultraviolet effects

from atomic gas effects. The knowledge gained from the separation experiment,

along with detailed knowledge of cellular structure, will be used to develop

mechanisms to investigate cell death. Possible applications of these studies

are continuous sterilization of gases and advanced separation techniques for

recovery of inorganic substances digested and concentrated by unicellular

organisms

.

Measurement of Shear Rate Near a Stirring Blade

B. Robertson

The shear strain rate is measured electrochemically in a salt solution

flowing by the blade. A microelectrode is inserted flush with the surface of

the stirring blade where the shear is measured. When a large voltage is

applied to the electrode, all of the ions at the surface of the electrode

react, so that their concentration vanishes 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 fluid tangential to the wall brings the ions more rapidly

to the electrode, and so increases the current in a predictable way.

The shear rate S measured on the front surface of a Rushton turbine blade

is correlated by

S / N = 3.3 (N D

2 / v ) 1 / 2

, where N is the turbine rotation rate, D is the turbine diameter, and v is the

kinematic viscosity. This correlation differs significantly from the estimate

of the average shear rate in a stirred tank,

S / N = 11,

by Metzner and Otto (1957) . Our measurements from Reynolds number 100 to

30 000 show that the local shear rate on the blade is proportional to the 3/2

power of N, rather than being linear in N as is the case with the average

shear rate. Our dimensional analysis shows that S is proportional to D and

- 70 -
depends on the kinematic viscosity as shown above. The measured local shear

rate is as much as 50 times larger than the average.

Drop Extension and Breakup in Mixer Blade Flow Fields

R.C. Calabrese, B.J. Sadoff

A liquid- liquid drop dispersion flow loop facility has been used, 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, suggest that the settling chamber and converging section are removing

large scale turbulence and providing desirable velocity profiles. The early

data also indicated 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 gradient 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 Solid-Phase Fraction Measurement

A.K. Gaigalas, W.G. Cleveland, Jr.

The objective of this project is the development of an accurate, non- intrusive measurement technique for on-line global sensing of solid-phase

fractions (consistency) in paper pulp flows. The technique utilizes

interference between electromagnetic waves propagating in a waveguide. 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. A prototype was constructed and has been successfully tested in the

pulp loop at the Institute for Paper Chemistry in Appleton, WI . A large

effort has been made to design and fabricate a solid-phase - fraction meter for

operation in a paper mill environment. Improvement in the efficiency of the

antenna and the reliability of the detection circuitry has been achieved.

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 sidt

the blade, and is found to be similar to those observed behind rotating

stirrers. The local size distribution of the gas bubbles redispersed fro;: :L. top of the cavity were determined photographically. The effect of Newton:

and non-Newtonian liquid properties and flow parameters on the bubble si:.* also investigated. The force acting on the blade is measured by a strain

- 71 -
gauge mounted on the blade arm. A correlation is being developed between the

power dissipated in the wake and the maximum bubble size.

HIGH TEMPERATURE REACTING FLOWS GROUP

Particle Formation in High Temperature Processes

R.J. Santoro, J.J. Horvath, J.L. Katz*, D. Chin*, H.G. Semerjian

Non- intrusive laser diagnostics are being applied to investigate particle formation processes in hydrocarbon flames . Detailed measurements of

the soot particle field 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 sen- sitivity 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, ex- periments 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 total amount of fuel carbon has been kept

constant by using a base flame of ethane to which various fuels are added.

The effect of species concentration on soot formation was studied by

addition of nitrogen or argon to obtain the same flame temperature. Temperatures were verified by using a new rapid thermocouple insertion

technique. A laboratory- constructed vaporization system was also used to

extend the studies of particulate formation processes to heavier fuels, such

as toluene. These studies are intended to examine soot formation under

conditions more directly related to practical systems.

Efforts are also underway to investigate formation of noncarbonaceous

particles. Using a counterflow diffusion flame, formation and growth of

silicon dioxide particles are being examined. In these experiments, silane

is introduced into a hydrogen- oxygen flame, which provides a flat, highly

uniform environment suitable for optical probing. Laser scattering

techniques are used to measure particle size and number density, and pulsedlaser methods are used to determine the concentration of intermediate

compounds such as SiO and OH. Electron microscopy also is being used to

examine particles sampled from the flame.

*Johns Hopkins University

- 72 -
Particulate and Droplet Diagnostics in Spray Flames

C. Presser, A.K. Gupta*, 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 (LANL) . 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 non- intrusive probing techniques is being used to obtain com- prehensive data on the spray combustion characteristics, including soot particle and droplet size, number density and volume fraction, gas composition,

velocity and temperature fields.

Current efforts are focused on laser scattering and 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. Measurements of the spatial profiles of

mean droplet size and number density have been completed, along with finewire thermocouple measurements in a pressure - atomized hollow cone spray

under nonswirling and swirling conditions. To provide a comparative

evaluation of different diagnostic techniques, data on droplet size and

number density have been obtained using three different methods: (a) an ensemble light scattering technique, based on measurement of the

polarization ratio of scattered laser light; (b) phase/Doppler

interferometry, a single particle counting technique; and (c) a light

intensity deconvolution technique, another single particle counting method.

Laser velocimetry measurements have resulted in measurement of complete

spatial profiles of each velocity component (axial, radial and tangential)

for both the droplet and combustion air flow fields. Data taken at the

burner exit have already been used in the modeling efforts underway at LANL,

resulting in good initial agreement between the experimental and numerical

results. The quantitative data have also been complimented with different

flow visualization techniques which include high speed cinematography, still

photography, and video movies. It has been found that the presence of swirl

has a significant influence on the spray structure. Comparison of different

droplet sizing techniques has demonstrated a disparity in measured droplet

size which is attributed to their different dynamic ranges. Efforts are now underway to study fuel property effects. A twin- fluid research atomizer has

been fabricated so that spray dynamics can be studied in a well

characterized nozzle. An investigation has also been initiated to determine

the feasibility of using the polarization ratio technique as a single

particle counter.

- 73 -
A collaborative program, to investigate the effect of coalescence and

preferential vaporization on droplet size distribution, is being developed

with Technion, the Israel Institute of Technology in Haifa. Another

collaborative research program has been initiated, with the NBS Institute

for Materials Science and Engineering, to apply laser diagnostic techniques

to investigate metal powder atomization and rapid solidification processes.

^University of Maryland

High Speed Laser Tomography for Measurement of Concentration

and Temperature Distributions in Reacting Flows

H.G. Semerjian, S.R. Ray

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 non- symmetric 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. Data have been obtained on the dynamics and

three-dimensional structure of large eddies formed in an ethene-air

turbulent diffusion flame. The frequency of eddy formation is controlled by

introducing fluctuations into the fuel stream, using a loudspeaker. The

formation, shedding, and break-up of eddies, marked by the soot particles

formed in the flame, have been observed with a time resolution of 1 ms. 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).

Numerical Modeling of High Temperature Reacting Flows

R.W. Davis, E.F. Moore

High temperature reacting flows are, in general, typified by strong

coupling between fluid mechanical and chemical kinetic processes. In most

practical systems, such reacting flows are characterized by large

fluctuations in species concentration and temperature which occur over small

spatial intervals. In order to gain an improved understanding of such

complex reacting flows, a joint numerical-experimental program is being

carried out. Because of its simple flow configuration, the focus of the

initial effort is the laminar axisymmetric diffusion flame. A computer code

- 74 -
is currently being developed to model this system. A flame-sheet

formulation is being used initially, with the addition of simple chemical

kinetics being anticipated at a later date. This model will provide a complete description of the flow, species, and thermophysical properties

fields, and permit quick assessment of the effects of parameter variation.

Experimental verification efforts are being carried out both within NBS and

among outside collaborators. Rigorous comparisons between numerical and

experimental results will be made at each level of code development to ensure that the model provides the capability to predict the features of

realistic flow fields.

Optical Sensing in Bioreactors

J.J. Horvath, K.P. Brown*, H.G. Semerjian, A.E. Humphrey*

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, conversion of biomass, etc. However, implementation of these new technologies requires measurement capabilities

which do not currently exist. Bioprocesses require very closely controlled

environments, 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 rheologically complex material.

Therefore, development of new on-line measurement techniques is critical for

future implementation of bioprocesses. Furthermore, non- intrus ive

measurement methods are desirable to avoid difficulties associated with

sampling, contamination, long response time, etc.

Optical techniques, especially with the use of tunable lasers, provide

the best potential for making nonintrusive , 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. Experiments have been carried out on fluorescence characteristics of the aromatic amino acids, indicating good

sensitivity and selectivity. The fluorescence characteristics of a series

of dipeptides and polypeptides were studied to determine the effects of

amino acide sequence and various chemical functional groups on the observed

fluorescence spectra. The spectra of commercially produced biomolecules

such as antibiotics and artificial sweeteners were also observed. The

fluorescence spectra of the components of a typical fermentation, i.e.

yeast, nutrient, and the product enzyme, have been examined and

characterized as a function of excitation wavelength. Present work involves

the initial set up and operation of a laboratory scale fermenter,

- 75 -
measurements on samples from a fermentation run, and the development of an on-line measurement system. Fluorescence techniques are also expected to

provide a powerful tool for cell activity and intracellular kinetics

measurements. In the future, Raman and resonance Raman scattering will be

utilized to provide improved species selectivity.

*Lehigh University

Emission Spectroscopy for Control of Combustion Systems

S.R. Charagundla, H.G. Semerj ian

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 on-going 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 run, 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 seif -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 methaneair 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 measure- ments of intensities of the two potassium lines and the corresponding background (continuum) emissions. The four color system is interfaced with a personal computer equipped for simultaneous data acquisition on four channels. The four color system has been used successfully to measure gas

temperature in potassium seeded premixed methane -air flames in the

laboratory. However, as the combustion zone of a recovery boiler is large,

with significant nonuniformities in temperature and concentration

distributions, optical depth differences and self adsorption are likely to

become prevalent. A cooled traversing probe has been designed and developed

to investigate the reaction zone of a typical recovery boiler and to assess

the effect of optical depth differences at the two wavelengths used in the

line intensity ratio technique. In addition, these tests will provide data

on the local heat flux in a black liquor recovery boiler reaction zone.

In addition to these tests, a prototype probe system is being assembled

for testing at a paper mill site. Successful application of this technique

to black liquor recovery boilers would demonstrate the technique's potential

for use in other high temperature reactor systems.

- 76 -
Fundamental Studies of Black Liquor Combustion

A. Macek, N.D. Amin, S.R. Charagundla, H.G. Semerjian

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, has been completed and droplet combustion tests in the reactor have

begun. Prior to the operation of the full height DPFR, an auxiliary reactor

utilizing parts of the DPFR had 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 is now being used for injection of BL droplets (with

up to 65% solids) into high- temperature streams in the DPFR. 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 in-flight droplet

diameters after detachment, and (d) velocities of droplets falling in a counterflowing hot gas stream. Droplet diameters in these studies can be

varied from 1 to 2.5 mm, gas temperatures from 1000 to 1350 K, and gas

velocities (upward) from 1.7 to 4.2 m/s. Studies in the auxiliary version

of the DPFR, allowing droplet residence times up to about 0.6 s, have been

completed. The full-height reactor offers the residence time capabilities

of several seconds, depending mainly on the droplet diameter.

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 non- intrusive measurements and gas - chromatographic analysis of samples extracted

from the reactor.

High-Temperature Oxidation of Chlorinated Hydrocarbons

A. Macek, N.O. Spears*, H.G. Semerjian

Control of products of incomplete combustion, generated during

incineration of hazardous wastes, 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 full-scale incineration systems. A literature

study has been made under the sponsorship of EPA, showing that at least

three experimental research approaches should be considered: (a) laboratorv

burners or furnaces; (b) high- temperature flow reactors (providing they

offer sufficient residence times for the reactant); and (c) fluidized bed'.

The first approach (flame destruction) is convenient, but it does not off^r

- 77 -
good control of three critical parameters for simulation of full-scale

incineration systems: temperature, residence time, and oxygen concentration.

Therefore, a decision has been made to explore the other two approaches.

A task on f luidized-bed destruction of hydrocarbons has been initiated.

The existing NBS facility is being modified to allow: (a) the metering of

gaseous reactants into the bed; (b) on-line exhaust monitoring of CO, CC^ , and possibly also and hydrocarbons, for determination of oxidation

efficiency; and (c) extraction of gas samples for GC/MS analysis.

Preparations are also being made to explore catalytic oxidation studies, for

which fluidized-bed reactors are especially suitable. It is expected that

the catalytic approach will offer a major advantage by allowing efficient

oxidation at substantially lower temperatures than the corresponding gasphase reactions.

Depending on the results of the fluidized-bed task, the dilute-phase

plug flow reactor at NBS, which has just been constructed for droplet

combustion studies, may be used for either gas-phase or droplet combustion

of chlorinated hydrocarbons. 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 non- intrusive optical

diagnostics -- are included in the basic design of the reactor. The flow

capabilities of the reactor, and the droplet injection and observation

capabilities, have already been demonstrated within the project on fundamentals of black liquor combustion.

^Howard University

Optical Measurements in Fluidized Bed Reactors

A. Macek, N.D. Amin

A high- temperature fluidized-bed reactor has been instrumented for

research on 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 fluidized-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. The experimental portion of this project has been completed, and

the interpretation of the acquired data is in progress.

In the mixing study, measurements are made of arrival times of fuel

particles from the point of their injection to locations of two separate

optical probes inside the bed. These arrival times, which are statistically

influenced, are recorded simultaneously on two channels in both analog and

digital form. Two quantitative mixing parameters have been defined and

- 78 -
measured as a function of fluidization parameters. One of these is the

first observed particle arrival time, t

Q

, 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^ = ISL/t, where 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

Q

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; (c) virtually unaffected by other fluidization parameters

over the range of interest in fluidized-bed combustion (temperature, oxygen

content in gas, and particle sizes). The measurements of t Q

and f^ have

resulted in definition of three mixing regimes, in terms of dimensionless

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 solids circulation in the upper

portions, but stagnation in lower portions of the bed. In addition,

quantitative values of dispersion coefficients have been obtained as a function of the fluidization velocity.

Fluorescence Spectroscopy for Control of Paper Pulping Processes

J.J. Horvath, H.G. Semerj ian

There is an increasing need for the development of measurement science

and technology for on-line measurement of process variables in the pulp and

paper industry. Current process techniques for measurement of

delignif ication rates in the pulping process are based on sampling and offline analysis systems. The resultant delay prevents the on-line control of

the digestor, and results in less than optimum operating conditions. The

ideal process monitoring technique would be both an in-situ and real-time

measurement system, so that important variables of the cooking process can

be monitored and corrections applied before a cook is complete. The goal of

this project is to develop in-situ techniques, based on fluorescence

spectroscopy, for monitoring pulping processes.

In these studies, laser excited fluorescence of black liquor was investigated as a possible monitoring technique for pulping processes. A

pulsed dye laser was used to examine the fluorescence spectrum of black

liquor solutions. Various excitation wavelengths were used between 280 and

403 nm. Black liquor fluorescence spectra were found to vary with both

excitation wavelength and black liquor concentration. Laser excited

fluorescence was found to be a sensitive technique for measurement of black

liquor with good detection limits and linear response over a large dynamic

range. Measurements have recently been made on actual pulping liquors

obtained from a paper mill. During the course of a 3 hour pulp cook, six

and seven samples were obtained at various times from two separate runs

.

Laser excited fluorescence spectra were obtained, from these very optically

dense liquors, using a backscatter configuration without any sample

dilution. The fluorescence spectra obtained from these samples were found

to vary during the cook, indicating good possibility of using fluorescencefor a process control monitor. Future work will involve the study of

- 79 -
cooking liquors from different type woods or from different stages of the

paper making process.

PROCESS SENSING GROUP

Orifice Discharge Coefficient Database Development

J.R. Whetstone, W . G . Cleveland , S. Woo, G.P. Baumgarten

A fully documented database has been developed for flange orifice meters.

Two projects have been completed: Coefficients in the intermediate range of

Reynolds numbers were obtained in the NBS -Gaithersburg water flow facility,

while the high Reynolds number work was done in collaboration with an industrial gas pipeline company at their Joliet, IL, test facility.

As reported last year, the electroless nickel plating of all meter tubes

prevented a continuous rust growth and thus, in turn, steady drift of

orifice pressure drop measurements as observed previously. A set of fully

reproducible data was obtained and subsequently submitted to the American

Petroleum Institute (API).

The new data base, which will eventually replace the old one developed in

the 1930' s, was presented to the public in a joint API-GRI-NBS seminar in

September 1986. This new database represents a major achievement and a new milestone in flow metrology. It will improve the accuracy of flow

measurement and thus contribute to equity in the domestic and international

trade of oil and gas.

IrO

2 Ionic Sensors

K.G. Kreider, S. Semancik

Reactively sputtered iridium oxide is being considered as a pH sensing

material. It has the advantage that thin films could be fabricated

inexpensively on probes which would be smaller and more durable than

presently used glass electrodes. The IrO^ is not attacked at high

temperatures and pH levels which would destroy the glass electrode. We have

produced reactively sputtered iridium oxide pH sensing films on A^O^

substrates. We have found the temperature of the deposition affects the

crystalline structure of the films and their electrical resistivity. The

amorphous and crystalline films investigation was reported in J. Vac. Sci.

Technol

.

Although linear Nernstian behavior (59 mV/pH) has been observed in all

of the sputtered films, a drift of the zero pH voltage (E.) appears to vary

with fabrication conditions and exposure to air and solutions. We have

systematically varied the activity of the ^0 during exposure by baking and

autoclaving and are relating the variation of (E.) to what may be hydroxylation. Photoemission spectroscopy is being used to characterize the

effect of fabrication variables and exposure on the composition of the

surface of the IrC^

.

- 80 -
Following our report to the Nuclear Regulatory Commission (NRC) on "Review of Materials for pH Sensing for Nuclear Waste Containment" we are initiating a five year project to investigate the use of IrC^ pH sensors in

monitoring high temperature brines. The intent of the investigation is to

enable the NRC to make accurate long range predictions of the corrosion of

nuclear waste containment vessels.

Thin Film Thermocouples for Heat Engines

K.G. Kreider

The goal of this project is to demonstrate the feasibility of a materials system and fabrication technique for measuring temperatures inside

the combustion chamber of ceramic insulated engines using thin film

thermocouples. The ceramic insulating materials under investigation include

partially stabilized zirconia (PSZ) in both monolithic and plasma sprayed

forms and alumina (A^O^) . The thermocouple systems have included type E (chromel-constantan) , type N (nisil-nicrosil) , and platinum-platinum (with

6% rhodium) . Adhesion studies for these systems indicate that a reactive

metal bond coat such as Cr or Ti is very useful in insuring a strong (70

MPa) bond between Pt and PSZ or A^O^. Scanning electron microscopy and

electron microprobe analysis have indicated that the sputtered films were produced with the same composition as the target alloys, and continuous,

strong, pore-free deposits can be sputtered 1-4 /im thick. Calibration, high

temperature exposure, and flame testing of the sputtered thin film deposits

indicate that a sputtered A^O^ film is necessary for the type N thin film

thermocouples and advisable for the Pt-Rh thermocouples if they are to be

used for long times above 900 K. Because of the sensitivity to the

atmosphere and alloy changes by diffusion of the thin films, type E

thermocouples are unstable at 1000 K and are not recommended.

Humidity Sensing Employing Bifunctional Polymer Membranes

P.H. Huang

The electrical and thermodynamic characteristics of water vapor

adsorption/desorption on a bifunctional polymer membrane have been

investigated for humidity sensing at high levels of relative humidities and

elevated temperatures above 50°C. The membrane is a thin film of

hygroscopic, fluorinated organic polymer having pendant functional groups of

a relatively strong sulfonic acid type and groups of a relatively weak

carboxylic acid type. Electrical conductance of the thin membrane is

measured as a function of relative humidity and temperature, using a frequency range of 100 Hz to 100 kHz. Based on the measured conductance

data, values of differential thermodynamic functions of enthalpy and entropy

are found to be significantly larger than those previously obtained for a sensor system at relative humidities and temperatures above 70 percent and

50°C, respectively. The thermodynamic data obtained are further used to

characterize and interpret the phenomena of bonding states of water

molecules and hysteresis ocurring in the sensor system. A patent

application has been filed, based on the use of a bifunctional polymer

membrane in humidity sensors

.

- 81 -
Calibration Upgrade for Humidity

S. Hasegawa

The final test for the upgrade was the NBS gravimetric hygrometer

vs. the NBS two-pressure humidity generator intercomparison test to verify

the performance of the humidity generator. The results of the test verified

that the generator was performing within the specified accuracy. The

calibration documentation was completed and approved by the Calibration

Advisory Group. The document is now going through NBS editorial review.

Plans for a low frost point humidity calibration facility have been

completed and the construction of the generator has been started. This

facility will provide calibration services for moisture contents less than 1 ppm in selected gases.

Chemical Gas Sensors

S. Semancik, D.F. Cox, J.E. Erickson, T.B. Fryberger, K. Kreider

Tin oxide, SnC^ , has been used in a variety of solid state gas sensing

applications because its conductivity is sensitive to the oxidation

potential of its environment. We have conducted a model study on a (110)

single crystal of this material in order to investigate the mechanisms by

which these practical electrical changes develop. Although pure Sn02 is a n-type semiconductor, having a band gap of 3.6 eV, we have demonstrated

(using ultraviolet photoemission) that band gap defect states exist even for our single crystal specimen. These defects not only affect the electrical

conductivity of Sn02 in vacuum, but they are also important in gas

adsorption processes, and therefore, help determine the conductivity changes

produced in operating sensors.

Our efforts have been concentrated on correlating compositional (and

structural) changes with changes measured in the surface conductivity of

pure crystalline Sn02 . In-situ treatments have included adsorption from

reducing and oxidizing gas backgrounds at 300 K and at elevated temperatures

(which simulate actual operating conditions for certain Sn02 *based sensors).

Analytical techniques utilized to determine the chemical and electronic

properties of Sn02 have included x-ray and UV photoemission, ion scattering,

secondary- ion mass spectrometry, and in-situ 4-point resistivity

measurements. In addition to providing fundamental insights into the

operation and behavior of Sn02 - containing sensor devices, our work on SnC^HO) has yielded an important baseline of results for work now underway

on the effects of selectivity-enhancing metal additives in tin oxide.

We have also been studying a highly conductive oxide, indium tin oxide

(ITO) . This transparent oxide has the highest electrical conductivity

of any transparent oxide and is useful in self heated windows. We have

produced 2 /urn thick films by reactive sputtering and are studying the

adsorption- desorption of gas molecules on the surface of the ITO.

- 82 -
Standardized Chemical Measurement Methodology

Development and Laboratory Robotics

F.E. Jones

The work in this area has specific application to sensing, detection,

collection, and analysis of selected chemical species in gases or deposited

on surfaces. One of the objectives of this work is the optimization and

standardization of methodology for the collection and analysis of volatile

and semi -volatile organic compounds of interest. An annotated bibliography

on collection and analysis of organic compounds in air has been prepared.

The most prevalent methodology in this area (and, thus, is emphasized in the

bibliography) is the collection and preconcentration of organic compounds in

a tube or cartridge containing adsorbent (such as polymer beads) and

subsequent desorption on to the column of a gas chromatograph (GC) , GC-mass

spectrometer (MS), or GC -MS - computer system for analysis. A robotic

laboratory automation system has been ordered and delivery is expected in

early FY 87. The system will be used to perform experiments on the analysis

of gas samples, and on the analysis of contaminated and decontaminated

surfaces. Interfacing of chemical sensors with the system and with a PC

will also be investigated.

5. HONORS AND AWARDS

R.J. Santoro - Department of Commerce, Silver Medal Award for research on the

fundamental processes leading to particle formation in high

temperature chemically reacting flows, November 1985.

A. Macek - Department of Commerce, Bronze Medal Award for outstanding

contributions to the science and technology of fluidized bed

reactors, December 1985.

6 . PUBLICATIONS

Charagundla, S.R. and Macek, A., Entrainment of irregularly shaped

particles: Application to solid-fuel furnace environments,

Presented at the AIChE Winter Meeting, Miami Beach, FL, Nov.

1986, to be published.

Charagundla, S.R. and Semerjian, H.G., A remote sensing

technique for combustion gas temperature measurement in black liquor

recovery boilers, Proc . of SPIE 1986 International Symposium, Quebec

City, Canada (1986).

Cox, D.F., Fryberger, T.B., Erickson, J.W. and Semancik, S.,

Surface properties of clean and gas-dosed SnC^tllO), J. Vac. Sci.

Tech . , in press

.

Cox, D.F., Semancik, S. and Szuromi , P.D., Summary

abstract: Structural and electronic properties of clean and

water-dosed SnC^tllO), J. Vac. Sci. Tech., Vol . A4 , No. 3,

pp. 627-628 (1986).

- 83 -
Davis, R.W., An experimental/computational investigation of organized

motions in axisymmetric coflowing streams, Nat. Bur. Stand. (U.S.)

NBSIR 85-3287 (Dec. 1985).

Doering, D.L. and Semancik, S., Chemisorption and rotational epitaxy of

lithium on Ru(001) , Surf. Sci., Vol . 175, pp . L730-L736 (1986).

Erickson, J.W. and Semancik, S., An economical UHV

four-point resistivity probe, J. Vac. Sci. Tech., in press.

Erickson, J.W. and Estrup, P.J., Relaxation and the

equivalent core approximation in chemisorption, Surf. Sci., in press.

Erickson, J.W. and Estrup, P.J., The dissociation of CO on modified

Mo(110) surfaces, Surf. Sci., Vol. 167, p. 519 (1986).

Fryberger, T.B., Grant, J.L. and Stair, P.C., Interaction

of boron with Mo(100) and its effect on surface chemistry, J. Vac.

Sci. Tech., in press.

Gaigalas , A.K., Measurement of paper pulp consistency,

TAPPI Journal, Vol. 69, No. 7, p. 103 (1986).

Horvath, J.J. and Semerjian, H.G., Laser excited

fluorescence studies of black liquor, Proc . of 1986 SPIE

International Symposium, Quebec City, Canada (1986).

Huang, P.H., A new humidity sensor and its thermodynamic

characterization, Proc. of 13th Ann. Meet, of Federation of

Analytical Chem. and Spectroscopy Soc . , St. Louis, MO, p. 536

(1986) .

Huang, P.H., Humidity sensing employing bifunctional polymer membranes,

Proc. of 2nd Int. Meeting on Chem. Sensors,

Bordeaux, France, pp . 345-348 (1986).

Klebanoff, P.S., Cleveland, W.G. and Tidstrom, K., On the

interaction of a three-dimensional roughness element with a laminar

boundary layer, AEDC Tech. Rep ' t .

,

submitted.

Kreider, K.G., Biancaniello , F.S. and Kaufman, M.J.,

Sputter deposition of icosahedral Al , Mn and Al-Mn-Si, Phys . Rev.

Lett .

,

in press .

Kreider, K.G., Internal combustion engine thin film

thermocouples, J. Vac. Sci. Tech., submitted.

Kreider, K.G., Ir02 RF sputtered thin film properties, J.

Vac. Sci. Tech., in press.

Kreider, K.G., Optical fiber thermometry, in book: Applications of

Radiation Thermometry, ASTM Spec. Tech. Pub. 895, p. 151, ASTM

Philadelphia , PA (1986).

- 84 -
Macek, A. and Amin, N.D., A study of solids circulation in

f luidized-bed combustors, Proc. 21st Int . Combustion Symp . , Munich,

W. Germany, Aug. 1986, in press.

Macek, A. and Charagundla, S.R., Burning rates of lignite

particles at low furnace temperatures, Combust. Sci.

Tech., Vol . 49, p. 205 (1986).

Mattingly, G.E., Gas flow measurement: Calibration

facilities and fluid metering traceability at the National Bureau of

Standards, Proc. IGT Symp. on Natural Gas Energy Measurement,

Chicago, IL (April-May, 1986).

Mattingly, G.E., Yeh, T.T. and Robertson, B., Flowmeter

installation effects: A new approach to an old but prevalent

problem, Proc. Intern. Symp. on Flow Meas . in the 1980' s, National

Engineering Lab., East Kilbride, Scotland (1986).

Moore, E.F. and Davis, R.W., Numerical computation of

particle trajectories: A model problem, in book: Gas-Solid

Flows-1986, Ed. by J.T. Jurewicz, pp . 111-116, ASME , New York, NY

(1986).

Presser, C., Gupta, A.K., Santoro, R.J. and Semerjian, H.G.,

Effect of combustion air swirl on liquid fuel spray

characteristics, Proc. 21st Int. Combustion Symp., Munich, W.

Germany, Aug. 1986, in press.

Presser, C., Gupta, A.K. , Santoro, R.J. and Semerjian, H.G.,

Velocity and droplet size measurements in a fuel spray,

Paper No. AIAA- 86 -0297 , AIAA 24th Aerospace Sciences Meeting,

Reno, NV, Jan. 1986.

Santoro, R.J. and Semerjian, H.G., Soot formation in

diffusion flames: Effects of fuel structure, temperature and

pressure, Final Report for AFOSR ISSA 85-02225, submitted.

Santoro, R.J., Yeh, T.T., Horvath, J.J. and Semerjian, H.G.,

The transport and growth of soot particles in laminar diffusion

flames, Comb. Sci. Tech., in press.

Semancik, S. and Cox, D.F., Fundamental characterization

of clean and gas-dosed tin oxide, Proc. of 2nd Int. Meeting on

Chem. Sensors, Bordeaux, France, pp . 226-229 (1986).

Semancik, S., Doering, D.L. and Madey , T.E., Coadsorption

of water and lithium on the Ru(001) surface, Surf. Sci., Vol. 176,

pp. 165-182 (1986).

Semancik, S. and Cox, D.F., Experimental studies of the

correlations between gas sensor response and surface chemistry, J.

Vac. Sci. Tech., Vol. A4 , No. 3 , pp . 626-627 (1986).

Semerjian, H.G. and Ray, S.R., Laser tomography for

investigation of turbulent flames, Final report for AFOSR ISSA

85-00024, submitted.

- 85 -
Solomon, P., Best, P., Carangelo, R. , Markham, J., Chien, P.,

Santoro, R.J. and Semerjian, H.G., FT-IR emission/transmission

spectroscopy for in situ combustion diagnostics, Proc . 21st Int

.

Combustion Symp . , Munich, W. Germany, Aug. 1986, in press.

Yeh, T.T., A vortex- induced , gas -liquid separation in a cylindrical tank at zero gravity, Nat. Bur. Stand. (U.S.)

NBSIR 86-3322 (Feb. 1986).

Yeh, T.T., A computer code for gas-liquid two-phase vortex

motions: GLVM (NASA), Nat. Bur. Stand. (U.S.) NBSIR 86-3414

(July 1986)

.

Yeh, T.T., Moore, E.F., Davis, R.W. and Mattingly, G.E.,

Preliminary results for a vortex induced, liquid handling and

accountability procedure at zero gravity, Cryogenics, Vol . 26,

pp. 117-121 (Feb. 1986).

7

.

TALKS

Charagundla, S.R., Spectroscopic Temperature Measurement Technique for

Recovery Boilers, DOE/Industry Advanced Sensor Working Group

Meeting, Chicago, IL, Oct. 31, 1985.

Charagundla, S.R., Spectroscopic Temperature Measurement Technique for

Recovery Boilers, DOE/Industry Advanced Sensor Working Group

Meeting, Gaithersburg, MD , Apr. 29, 1986.

Charagundla, S.R. (coauthor: H.G. Semerjian), A Remote Sensing Technique

for Combustion Gas Temperature Measurement in Black Liquor Recovery

Boilers, 1986 International SPIE Conference, Quebec City, Canada,

June 6, 1986.

Cox, D.F. (coauthors: S. Semancik and P.D. Szuromi) , Structural and

Electronic Properties of Clean and Water-Dosed Sn02(110), 32nd

National Symposium of the American Vacuum Society, Houston, TX,

Nov. 22, 1985.

Cox, D.F., H

2 O Adsorption on SnC^llO), Structural and Electronic

Effects, Department of Chemical Engineering, Louisiana State

University, Baton Rouge, LA, Apr. 15, 1986.

Davis, R.W., Numerical Computation of Particle Trajectories: a Model

Problem, AIAA/ASME 4th Fluid Mechanics, Plasma Dynamics, and Laser

Dynamics Conference, Atlanta, GA, May 12, 1986.

Fryberger, T.B., Interaction of Boron with Mo(100) and its Effect on Surface Chemistry, Forty- Sixth Annual Conference on Physical

Electronics, Austin, TX, June 17, 1986.

Gaigalas , A.K., Solid Fraction Measurement and Bubble Diagnostics,

DOE/Industry Advanced Sensor Working Group Meeting, Gaithersburg,

MD, Apr. 29, 1986.

- 86 -
Hasegawa, S., Hygrometry, Parameter Generation Control, Inc.,

Ashville, NC , May 5, 1986.

Horvath, J.J. (coauthor: H.G. Semerjian), Laser Excited Fluorescence

Studies of Black Liquor, 1986 International SPIE Conference,

Quebec City, Canada, June 6, 1986.

Horvath, J.J., Optical Diagnostics of Biomolecules, NBS Staff Research

Seminar, NBS, Gaithersburg, MD, Sept. 5, 1986.

Horvath, J.J. (coauthor: H.G. Semerjian), LIF for Sensing in Bioreactors,

192nd National Meeting of the American Chemical Society, Anaheim,

CA, Sept. 8, 1986.

Huang, P.H., Humidity Sensing Employing Bifunctional Polymer Membrane,

The 2nd International Meeting on Chemical Sensors, Bordeaux,

France, July 10, 1986.

Huang, P.H., A New Humidity Sensor and its Thermodynamic Characterization,

The 13th Annual Meeting of the Federation of Analytical Chemistry

and Spectroscopy Societies, St. Louis, MO, Sept. 30, 1986.

Kreider, K.G., Thin Film Thermocouples for Internal Combustion

Engines , International Symposium on Metallurgical Thin Films, San

Diego, CA, Apr. 9, 1986.

Kreider, K.G., Ir02 Radio Frequency Sputtered Thin Film Properties, Solid

State Transducers Workshop, Hilton Head, SC, June 6-8, 1986.

Kreider, K.G., Formation of Icosahedral Quasicrystals by Sputter Deposition,

Annual Meeting of the AIME , Orlando, FL, Oct. 7, 1986.

Kreider, K.G., Thin Film Thermocouples for Temperature Measurement in

Diesel Engine Cylinders, Automotive Technology Development,

Contractors' Coordination Meeting, Dearborn, MI, Oct. 28, 1986.

Macek, A., Fundamentals of Black Liquor Combustion, DOE Black Liquor

Research Program Review, University of Florida, Gainesville, FL,

Feb. 19, 1986.

Macek, A. (coauthor: N. Amin), Solids Circulation in Fluidized- Bed

Combustors, 21st Symp . (International) on Combustion,

Munich, W. Germany, Aug. 7, 1986.

Macek, A. , Fundamentals of Black Liquor Combustion, DOE Black Liquor

Research Program Review, The Institute of Paper Chemistry,

Appleton, WI , Oct. 2, 1986.

Macek, A., Optical Diagnostics Inside Coal Combustors and Gasifiers,

Brigham Young University, Provo, UT , Nov. 5, 1985.

Mattingly, G.E., NBS' New Slurry Flow Facility, Slurry Technology

Association's Annual Meeting, Hilton Head, SC, Mar. 17-18, 1986.

Mattingly, G.E., Liquid Flow Measurement: Techniques for Metering.

Calibrations, and Traceability, ASME Solar Energy Conference,

Anaheim, CA, Apr. 14, 1986.

- 87 -
Mattingly, G.E., Gas Flow Measurement: Calibration Facilities and Fluid

Metering Traceability at the National Bureau of Standards, Institute

for Gas Technology Conference on Natural Gas Energy Measurement,

Chicago, IL, May 1, 1986.

Mattingly, G.E., Vortex Shedding Flowmeter Research at NBS , Cranfield

Institute of Technology Short Course Program, Cranfield,

England, June 4-5, 1986.

Mattingly, G.E., LDV Measurements and Characterization of the Pipeflow

Produced by the Notorious Elbows-out-of-Plane Configuration,

Department of Mechanical Engineering Seminar, University of Surrey,

Guildford, England, June 6, 1986.

Mattingly, G.E., Flowmeter Installation Effects: A New Approach to an Old

But Prevalent Problem, International Conference on Flow Measurement

in the 1980' s, National Engineering Laboratory, East Kilbride,

Scotland, June 10, 1986.

Mattingly, G.E., Gas Flow Measurement: Concepts, Facilities, and

Traceability, DALFI ' s Advanced Gas Flow Measurement Course, Fort

Collins, CO, July 15, 1986.

Mattingly, G.E., Specific Gas Flow Calibration Facilities at NBSGaithersburg , MD: Techniques and Performance Levels, DALFI '

s

Advanced Gas Flow Measurement Course, Fort Collins, CO, July 15,

1986.

Mattingly, G.E., Fluid Flow Measurement: Concepts, Artifacts, and

Implementation Techniques, DALFI ' s Advanced Gas Flow Measurement

Course, Fort Collins, CO, July 16, 1986.

Mattingly, G.E., Numerical Modeling of Meter Flows: Orifice and Vortex

Shedding Type, DALFI ' s Advanced Gas Flow Measurement Course, Fort

Collins, CO, July 17,1986.

Mattingly, G.E., LDV Measurements of Vortex Shedding Flows, DALFI ' s Advanced

Gas Flow Measurement Course, Fort Collins, CO, July 17, 1986.

Mattingly, G.E., Flowmeter Calibration Results - Techniques Recommended for

Optimizing Performance, DALFI ' s Advanced Gas Flow Measurement

Course, Fort Collins, CO, July 18, 1986.

Mattingly, G.E., Flowmeter Ins tallation- Effects Research at NBS, DALFI '

s

Advanced Gas Flow Measurement Course, Fort Collins, CO, July 18,

1986.

Mattingly, G.E., Industry-Government Consortium Programs on Fluid Metering

Research, ASME/MFFCC Meeting, New York, NY, Sept. 11, 1986.

Mattingly, G.E., Fluid Flowrate Measurements: Techniques, Calibrations, and

Traceability for Petrochemical and HVAC Applications, ISA Meeting,

Wichita, KS , Sept. 22, 1986.

Mattingly, G.E., Two-Phase Fluid Jet Interactions, NBS -Nondestructive

Evaluation Panel Presentation to NRC/NAS/NAE, Gaithersburg, MD

,

Nov. 21, 1985.

- 88 -
Presser, C. (coauthors: A.K. Gupta, R.J. Santoro and H.G. Semerjian),

Velocity and Droplet Size Measurements in a Fuel Spray, AIAA 24th

Aerospace Sciences Meeting, Reno, NV, Jan. 7, 1986.

Santoro, R.J. (coauthors: J.J. Horvath and H.G. Semerjian), Fuel Structure

Effects on the Formation of Soot Particles in Laminar Diffusion

Flames, Invited Review Paper, 60th Colloid and Surface Science

Symposium, Georgia Institute of Technology, Atlanta, GA, June 15,

1986.

Santoro, R.J. (coauthor: H.G. Semerjian), Soot Formation in Diffusion

Flames, AFOSR Contractors' Meeting, Stanford University, Stanford,

CA, June 18, 1986.

Santoro, R.J., Soot Particle Formation Processes in Flames, Advanced Fuels

Research, E. Hartford, CT, Oct. 4, 1985.

Santoro, R.J. (coauthors: T.T. Yeh, J.J. Horvath and H.G. Semerjian),

The Transport and Growth of Soot Particles in Flames, Eastern States

Section Meeting, The Combustion Institute, Philadelphia, PA,

Nov. 4, 1985.

Santoro, R.J., The Formation, Growth and Transport of Soot Particles in

Diffusion Flames, Mechanical Engineering Department, Louisiana State

University, Baton Rouge, LA, Nov. 15, 1985.

Semancik, S. (coauthor: D.F. Cox), Experimental Studies of the Correlations

Between Gas Sensor Response and Surface Chemistry, 32nd National

Symposium of the American Vacuum Society, Houston, TX, Nov. 22,

1985.

Semancik, S. (coauthor: D.F. Cox), Fundamental Characterization of Clean

and Gas-Dosed Tin Oxide, 2nd International Meeting on Chemical

Sensors, Bordeaux, France, July 7, 1986.

Semancik, S., The Effects of Surface Additives on Gas-Metal Interactions,

Institute for Physical and Theoretical Chemistry, University of

Tubingen, Tubingen, West Germany, July 15, 1986.

Semancik, S., Temperature and Gas-Induced Property Changes at the Surface

of Tin Oxide, Electronics Department, Technical University of

Munich, Munich, West Germany, July 17, 1986.

Semerjian, H.G., Optical Diagnostics for Combustion Studies, University of

Maryland, Department of Mechanical Engineering, College Park, MD

,

Apr. 4, 1986.

Semerjian, H.G., Particulate and Droplet Diagnostics in Spray Combustion,

DOE/ECUT Working Group Meeting on Sprays, NBS , Gaithersburg, MD

,

Dec. 4, 1985.

Semerjian, H.G., Particulate and Droplet Diagnostics in Spray Combustion,

DOE/ECUT Working Group Meeting on Sprays, Sandia National

Laboratory, Livermore, CA, May 7, 1986.

Semerjian, H.G., Laser Tomography for Investigation of Turbulent Flames.

AFOSR Contractors' Meeting, Stanford University, Stanford, CA

,

June 16, 1986.

- 89 -
Semerjian, H.G. (coauthors: C. Presser, A.K. Gupta and R.J. Santoro),

Effect of Combustion Air Swirl on Liquid Fuel Spray Characteristics,

21st Symp . (International) on Combustion, Munich, W. Germany,

Aug. 5, 1986.

Semerjian, H.G., Laser Tomography for Investigation of Chemically

Reacting Flows, Institute for Paper Chemistry Seminar,

Appleton, WI , Oct. 3, 1986.

Ulbrecht, J.J., Particle Transport Phenomena in Non-Newtonian Liquids, AIChE

National Meeting, Miami, FL, Nov. 5, 1986.

Woo, S., A Practical Cooling Problem, Chemical Process Metrology Division

Staff Seminar, NBS/CCE, Gaithersburg, MD , Oct. 15, 1985.

8. COMMITTEE MEMBERSHIPS AND EDITORSHIPS

COMMITTEE MEMBERSHIPS

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 on Pressure Differential Devices (Member)

ASME SC-6 on Glossary of Terms for Flow Measurements (Member)

ASME SC-14 on Measurement of Fluid Flow Using Gravimetric and

Volumetric Techniques (Chairman)

ASME SC-15 on Installation Requirements for Orifices,

Venturis, and Nozzles (Member)

ASME SC- 16 on Vortex Shedding Type Flowmeters (Member)

ASME Main Research Committee on Fluid Meters (Member)

ASME SC-11 on Test Methods and Calculation Procedures (Chairman)

ASME Ad Hoc Committee on Flowmeter Installation-Effects Research

(Member)

International District Heating Association Fluid Metering

Committee (Member)

ASHRAE Standards Committee 125P on Method of Testing Heat Meters

Used in Fluid HVAC Systems (Member)

N.E. Mease

ASTM DO. 22 on Methods of Sampling and Analysis of Atmospheres

(Member)

ASTM D22.01 on Quality Control (Chairman)

ASTM SC. 02 on Methods of Sampling and Analysis (Member)

ASTM SC. 05 on Calibration (Member)

ASTM SC. 11 on Meteorological Measurement (Member)

- 90 -
J.J. Ulbrecht

AIChE International Activities Committee (Member)

AIChE National Programs Committee, Subcommittee on Mixing (Member)

A . Macek

Combustion Institute - 21st Symposium (International) on

Combustion, Program Subcommittee (Member)

NSF Panel on Presidential Young Investigators Awards (Member)

C. Presser

ASME K-6 Committee on Heat Transfer in Energy Systems (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 K-ll Committee on Heat Transfer in Fires and Combustion

Systems (Member)

AIChE Engineering Sciences and Fundamentals Group, Area lb - Kinetics, Catalysis and Reactor Engineering (Member)

AIChE Food, Pharmaceutical and Bioengineering Division, Area 15C - Biotechnology (Member)

NBS Research Advisory Committee (Chairman)

ASTM Subcommittee E29.04 on Characterization of Liquid Particles

(Member)

EDITORSHIPS

J.J. Ulbrecht

Chemical Engineering: Concepts and Review, Gordon and Breach

(Series Editor)

9 . PROFESSIONAL INTERACTIONS

INDUSTRY

K.R. Benson

Cooperative research with R. Peele, Corning Glass Works, Corning, NY, on nitrogen flow by characterizing laminar meter performance as a transfer

standard

.

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Cooperative research with P. Twigg, Westinghouse Electric Corporation,

Baltimore, MD, on the accuracy of laminar flow with nitrogen for AWAC

aircraft

.

G.E. Mattingly

Instigated and coordinated NBS acceptance, installation, and check-out of

Flowmeter Calibration Facility donated by Flow Technology, Inc., Phoenix,

AZ.

Convened progress review meetings of Industry-Government Consortium on Vortex Shedding Stability to review NBS research results at NBS,

Gaithersburg, MD

.

N.E. Mease

Cooperative calibration work with J.D. Crosby, Belfort Instrument Co.,

Baltimore, MD , on anemometers to be used in automated, voice-activated,

airport weather stations.

S.R. Charagundla

Collaboration with P. Ariessohn, Weyerhaeuser Co., Tacoma, WA, on emission

measurements in recovery boilers.

Cooperative work with R. Kimball, Weyerhaeuser Mills,

Plymouth, NC, on recovery boiler measurements.

J.J. Horvath

Collaborative research with C. Ipock and P. Farmer,

Weyerhaeuser Co., New Bern, NC, on measurements for paper pulping

processes

.

A. Macek

Cooperative work with R. Corbeels , Texaco Research, Beacon, NY, on combustion of coke particles in fluidized beds.

A. Macek and H.G. Semerj ian

Collaboration with E. McHale and M. King, Atlantic Research Corp.,

Alexandria, VA, on slurry combustion.

C. Presser and H.G. Semerj ian

Collaborative research with W. Bachalo, Aerometrics, Inc.,

Mountain View, CA, on droplet size measurements in sprays

and spray flames

.

Collaborative research with D. Holve, Insitec, Inc., Danville,

CA, on droplet size measurements in sprays and spray flames.

- 92 -
R. J. Santoro and H.G. Semerjian

Collaboration with P. Solomon, Advanced Fuel Research, E. Hartford, CT, on temperature measurements in diffusion flames.

H.G. Semerjian and S.R. Ray

Collaboration with P. Solomon, Advanced Fuel Research, E. Hartford, CT , on laser tomography.

S. Semancik

Collaborative work with R. Schaeffer, Extrel Corporation, on mass spectrometer modifications.

ACADEME. NATIONAL LABORATORIES AND GOVERNMENT

G.E. Mattingly

Research liaison with I. Anderson, Naval Research Lab, Washington, DC, on metal atomization research.

Coordination with

Gaithersburg, MD

,

NCSL

.

C.W. Reimann, NBS National Measurement Laboratory,

on flow measurement standards strategies in the ISA and

Coordination with W. Callis, U.S. Air Force, Newark, OH; J. Miller, U.S.

Army, Huntsville, AL; and M. Gee and R. Chessman, U.S. Navy, Pomona, CA , on specific steps to initiate realistic traceability for fluid flow

measurements

.

N.E. Mease

Cooperative calibration work with a visiting scientist from the People's

Republic of China on Pitot-static tube rake to be used for his measurements

at Boeing in Philadelphia, PA.

Collaborative research with E. Simiu of the NBS Center for Building

Technology, Gaithersburg, MD, on measurements to specify wind-based

aeroelastic loadings on structures.

B. Robertson

Collaboration with C. Deslouis and B. Tribollet, Physique des Liquides et

Electrochimie , l'Universite Pierre et Marie Curie, Paris, France, on electrochemical measurement of diffusivity.

S.R. Charagundla

Collaborative effort being developed with B. Northram, NASA

Langley Research Center, Hampton, VA, on fiber optics sensing

techniques

.

- 93 -
R.W. Davis

Collaborative research with H. Baum, NBS Center for Fire

Research, Gaithersburg, MD , on numerical modeling of chemically reacting

flows

.

Collaborative research with R.J. Santoro, Pennsylvania State

University, State College, PA, on the physical aspects of

diffusion flame modeling.

Collaborative research with W.M. Roquemore , Air Force Wright

Aeronautical Laboratories, Dayton, OH, on the physical aspects

of diffusion flame modeling.

Cooperative research with W.M. Pitts, NBS Center for Fire

Research, Gaithersburg, MD, on the dynamics of coflowing propane-air jets.

J.J. Horvath

Collaborative research with J.L. Katz and D. Chin, Johns

Hopkins University, Baltimore, MD , on absorption and fluorescence

measurements in counterflow diffusion flames.

A. Macek

Collaborative research with W. Liggett, NBS Center for

Applied Mathematics, Gaithersburg, MD , on statistical analysis of mixing

processes in fluidizing beds.

Collaborative research being developed with D. Smoot, Brigham

Young University, Chemical Engineering Department, Provo, UT , on diagnostics in entrained flow gasifiers.

C. Presser

Cooperative research with T. Lettierri, NBS Center for Manufacturing Engineering, Gaithersburg, MD , on calibration of particle sizing

techniques with polystyrene spheres.

C. Presser and H.G. Semerjian

Collaborative research with A. Gupta, University of Maryland,

College Park, MD , on diagnostics in spray flames.

Collaborative research with H. Hayasaka, Hokkaido University,

Japan, on radiation modeling for reacting flows.

S.R. Ray and H.G. Semerjian

Collaborative research with R. Goulard, George Washington

University, Washington, DC, on laser tomography.

- 94 -
R.J. Santoro and H.G. Semerj ian

Cooperative research with R.A. Dobbins, Brown University,

Providence, RI , on interpretation of optical measurements of

particles in flames.

Collaborative research with K. Smyth and W.G. Mallard, NBS Center for Fire

Research, Gaithersburg, MD , on particle formation in high temperature

reacting flows.

Cooperative research with D. Santavicca, Pennsylvania State

University, State College, PA, on Raman temperature measurements

in particle laden flames.

Cooperative research with J. Katz, Johns Hopkins University

Baltimore, MD , on temperature and particle measurements in high

temperature reacting flows.

H.G. Semerj ian

Collaborative research being developed with J. Gentry,

University of Maryland, College Park, MD , on investigation of

levitated droplets.

Collaborative research with V. Hlavacek, State University of

New York, Buffalo, NY, on heterogeneous reactions and chemical

vapor deposition.

Collaborative research with S. Sikdar, NBS Center for Chemical

Engineering, Boulder, CO, on concentration measurements in bioseparation systems.

Collaborative research being developed with T. McAvoy,

University of Maryland, College Park, MD , on pattern recognition

and algorithmic sensors

.

H.G. Semerj ian and J.J. Horvath

Collaborative research being developed with A.E. Humphrey,

K.P. Brown and J. Phillips, Lehigh University, Bethlehem, PA, on optical

sensing in bioreactors.

H.G. Semerj ian and A. Macek

Cooperative research with D. Clay, Institute of Paper

Chemistry, Appleton, WI , on black liquor combustion and pyrolysis.

Cooperative research being developed with I. Stockel, University

of Maine, Orono , ME, on droplet formation and black liquor combustion

Collaborative research with R. Chawla, Howard University, Washington

on combustion of hazardous wastes.

- 95 -
H.G. Semerjian and C. Presser

Cooperative work with J. Bellan and M. Clayton, JPL, Pasadena,

CA, on diagnostics and modeling in spray combustion.

Cooperative research with D. Butler, Los Alamos Scientific

Laboratories, Los Alamos, NM, on modeling of spray flames.

Cooperative research with J. Greenberg and Y. Tambour,

Technion- Israel Institute of Technology, Haifa, Israel, on modeling of fuel spray dynamics.

Collaborative research with S. Ridder, F. Biancaniello and

J. Manning, NBS Institute for Materials Science and Engineering,

Gaithersburg, MD , on liquid metal atomization.

J.W. Erickson

Collaborative work with C.D. Olson, NBS Institute for Materials Science and

Engineering, Gaithersburg, MD , on energy dispersive x-ray characterization

of tin oxide.

Collaborative work with P.J. Estrup, Department of Chemistry, Brown

University, on kinetics and thermodynamics of surface processes.

T.B. Fryberger

Collaboration with P.C. Stair, Department of Chemistry,

Northwestern University, on the effects of adsorbed boron on the

surface chemistry of molybdenum.

S. Semancik

Collaborations with R. Helbig, Applied Physics

Department, Universitat Erlangen, West Germany, on the

study of tin oxide single crystals.

Collaboration with D.L. Doering, Department of Physics,

University of Florida, on structural and chemical effects of alkalis

on metal surfaces.

Collaboration with T.E. Madey, NBS Center for Chemical Physics,

Gaithersburg, MD , on surface coadsorption interactions.

10. CONFERENCES. WORKSHOPS. AND SEMINARS

CONFERENCES

Session on Soot at the Eastern Section Meeting of the Combustion

Institute, Philadelphia, PA, Nov. 4, 1985. Chaired by R.J. Santoro.

Session on Combustion Diagnostics at the 24th AIAA Aerospace Sciences

Meeting, Reno, NV, Jan. 7, 1986. Organized and chaired by

H.G. Semerjian.

- 96 -
Session on Combustion Generated Pollutants at the 21st Symposium

(International) on Combustion, Munich, W. Germany, Aug. 6, 1986.

Chaired by H.G. Semerjian.

Session on Combustion of Solid Propellants at the 21st Symposium

(International) on Combustion, Munich, W. Germany, Aug. 8, 1986.

Chaired by A. Macek.

WORKSHOPS

Hosted workshop of DOE/ECUT Spray Working Group, held on Dec. 4,

1985 at NBS , Gaithersburg, MD . Organized by H.G. Semerjian.

Hosted Workshop on Biochemical Measurements, held on Apr. 17, 1986

at NBS, Gaithersburg, MD. Organized by J.J. Ulbrecht.

NBS-DoD Calibration Coordination Group Workshop to develop tailored

fluid flow measurement traceability program, held on Aug. 19, 1986 at

NBS, Gaithersburg, MD . Hosted by G.E. Mattingly.

NBS-U.S. Industry Representatives Workshop to explore possibilities to

initiate an automated metal atomization consortium research program,

held on Oct. 31, 1986 at NBS, Gaithersburg, MD . Contributory hosts:

G.E. Mattingly and H.G. Semerjian.

SEMINARS

A. Szilvassy, Office of International Relations, National Office of

Measures, Budapest, Hungary: Flow Measurement Activities of the

National Office of Measures - Budapest, Hungary, Oct. 9, 1985.

M.H. Kim, Chemical Engineering Department, Northwestern University,

Evanston, IL: Theories for the Flow of a Suspension and Comparisons

with Experimental Data, Dec. 6, 1985.

K.C. Muck, Guest Scientist, NBS Center for Fire Research, Gaithersburg,

MD: Complex Turbulent Boundary Layers, Mar. 14, 1986.

W.H. Schwarz and T.S. Margulies , Department of Chemical Engineering,

Johns Hopkins University, Baltimore, MD : Acoustic Wave Propagation in

Non-Newtonian and Multiphase Fluids, June 18, 1986.

I.P. Castro, Department of Mechanical Engineering, University of

Surrey, Guildford, U.K.: A "Wall Stress Sensor" and its Use and

Performance in Fluid Mechanics Research at the University of Surrey,

Aug. 21, 1986.

W.D. Bachalo, Aerometrics, Inc., Mountain View, CA: Simultaneous

Measurements of Drop Size and Velocity Distributions in Sprays,

Oct. 11, 1985.

R. Prudhomme , Princeton University, Princeton, NJ : Dispersion of

Liquids, Oct. 15, 1985.

- 97 -
F. Beretta, University of Naples, Naples, Italy: Ensemble Laser

Light Scattering Technique for the Analysis of Atomization of CoalWater Slurries, Oct. 29, 1985.

C. Jensen, University of Minnesota, Minneapolis, MN : Reactors for

Chemical Vapor Deposition, Nov. 22, 1985.

D. J. Holve, INSITEC, Danville, CA: Development and Applications of NonIntrusive Instrumentation for Particle Measurements, Dec. 5, 1985.

Tse-Wei Wang, University of Tennessee, Chemical Engineering Dept.,

Knoxville, TN : Applying Modern Control Techniques to Bacterial

Growth Systems, Jan. 21, 1986.

M. Zachariah, University of California at Los Angeles, Chemical

Engineering Dept., Los Angeles, CA: Experimental and Numerical Studies

of Sulfur Chemistry in Flames, Mar. 13, 1986.

R. Sonntag, ARCO Oil Co., Plano, TX: Breakup of Latex Aggregates in

a Shear Field, Apr. 16, 1986.

A. Vranos , United Technologies Research Laboratory, E. Hartford, CT

:

Planar Imaging in Cross-Flow Jets and Diffusion Flames, May 13, 1986.

M.M. Sharma, University of Bombay, Dept, of Chemical Technology,

Matunga, Bombay, India: Excursions into Multiphase Reactions,

May 19, 1986.

J.L. Katz, Johns Hopkins University, Baltimore, MD: NucleationHomogeneous , Photo -induced, of SiC^ and Others, June 3, 1986.

A. Babchin, Electrochemical Technology, Inc., Seattle, WA: Modeling of

Heat and Mass Transfer, June 25, 1986.

A. Schmidt-Ott, Laboratorium fur Festkorperphysik , Zurich,

Switzerland: Aerosol Photoemission, July 23, 1986.

J.O.L. Wendt, University of Arizona, Chemical Engineering Dept.,

Tucson, AZ: Coal Pyrolysis in Flat, Laminar, Opposed Jet Combustion

Configurations, July 25, 1986.

P. Lipowicz , University of California at Berkeley, Dept, of Chemical

Engineering, Berkeley, CA: Aerosol Characterization of a Smoldering

Source, July 29, 1986.

A. Garo , CNRS , Mulhouse, France: Oxidation of Soot Particles in a Laminar Diffusion Flame, Sept. 12, 1986.

M. Allen, Stanford University, Dept, of Mechanical Engineering,

Stanford, CA: Digital Imaging Techniques in Reacting Flow Fields,

Sept. 16, 1986.

D. Dunn-Rankin, Sandia National Laboratories, Livermore, CA: Particle

Size Distribution Development During Pulverized Coal Combustion,

Sept. 22, 1986.

- 98 -
A.V. Hamza, Department of Chemical Engineering, Stanford University,

Stanford, CA: The Activation of Alkanes on Ni (100), Jan. 2, 1986.

J.D. DeNuzzio, Department of Materials Science and Engineering,

University of Pennsylvania, Philadelphia, PA: Conduction and Stability

in Ammonium/Hydronium - Alumina, Feb. 4, 1986.

D.S. Simons, NBS Center for Analytical Chemistry, Gaithersburg, MD

:

Overview of Secondary Ion Mass Spectromety, Apr. 17, 1986.

Y.W. Chung, Department of Materials Science and Engineering,

Northwestern University, Evanston, IL: Surface Chemical Modification

by Titanium and Manganese Oxide, Sept. 10, 1986.

- 99 -
NBS-1 14A (REV. 2-80

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA

SHEET (See instructions)

1. PUBLICATION OR

REPORT NO.

NBSIR 86-3059

2. Performing Organ. Report No 3. Publication Date February 1987

4. TITLE AND SUBTITLE

CENTER FOR CHEMICAL ENGINEERING TECHNICAL ACTIVITIES: FISCAL YEAR 1986

5. AUTHOR(S)

J. Hord, Editor

6. PERFORMING ORGANIZATION (If joint or other than NBS. see instructions) 7. Contract/Grant No. NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE 8. Type of Report & Period Covered

WASHINGTON, D.C. 20234 Research Summary

10-85 to 09-86

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State. ZIP)

10. SUPPLEMENTARY NOTES

| | 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

bi bl iography or literature survey, mention it here)

Technical research activities performed by the Center for Chemical Engineering

during the Fiscal Year 1986 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.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names ; and separate key words by semicolon s) calibrations; chemical engineering; data; fluid mechanics; fluid properties;

process measurement; research; sensors; solid properties; thermophysics; unit

operations

.

13. AVAILABILITY

[x] Unl imited

| | For Official Distribution. Do Not Release to NTIS

| Order From Superintendent of Documents, U.S. Government Printing Office, Washington, D.C. 20402.

| x 1 Order From National Technical Information Service (NTIS), Springfield, VA. 22161

14. NO. OF

PRINTED PAGES

114

15. Price

U S COMM- DC 6043-P80

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