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NBSIR 84-2864

Technical Activities 1983

Office of Standard Reference Data

S. P. Fivozinsky, Editor

U.S. DEPARTMENT OF COMMERCE

National Bureau of Standards

National Measurement Laboratory

Washington, D.C. 20234

April 1984

U.S. DEPARTMENT OF COMMERCE

TIONAL BUREAU OF STANDARDS -QC—. 100

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o0-2864

NBSIR 84-2864

TECHNICAL ACTIVITIES 1983

OFFICE OF STANDARD REFERENCE DATA

S. P. Fivozinsky, Editor

U.S. DEPARTMENT OF COMMERCE

National Bureau of Standards

National Measurement Laboratory

Washington, D.C. 20234

April 1984

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

NATIONAL BUREAU OF STANDARDS. Ernest Ambler. Director

ABSTRACT

The Office of Standard Reference Data is one of two program offices in the

National Measurement Laboratory, National Bureau of Standards. The Standard

Reference Data Program develops and disseminates data bases of critically

evaluated physical/chemical properties of substances. These data bases are available through NBS and private publications, on magnetic tape, and from

on-line retrieval systems.

The Office of Standard Reference Data is responsible for management and

coordination of the program. Work is carried out through a decentralized

network of data centers and projects referred to as the National Standard

Reference Data System (NSRDS). This volume summarizes the activities of

the program for the year 1983.

Key words: data compilation; energy and environmental data, evaluated data;

materials data; standard reference data; technical activities

1983; thermochemical and thermophysical data
TABLE OF CONTENTS

Introduction 1 Cooperative Activities 3

Program Structure 8

Energy and Environmental Data 10

Industrial Process Data 14

Materials Properties Data 18

Automation 24

Data Center and Project Reports 27

Data Centers 28

Projects 40

Publications in 1 983 51 Publications Scheduled for 1 984 54

APPENDICES

A. List of Acronyms and Abbreviations 57

.B. OSRD Organization Chart . . 59

C. Staff of OSRD 60

D. Publications by OSRD Staff 62

E. Invited Talks and Presentations by OSRD Staff 63

F. Technical and Professional Committee

Participation and Leadership 65

G. Standard Reference Data Act (PL 90-396) 68

H. NSRDS Data Centers 70

I. NBS Organization Chart 75

J. NML Organization Chart 76
INTRODUCTION

The Office of Standard Reference Data is responsible for program management and coordination of the National Standard Reference Data System (NSRDS).

The major aim of the program is to provide critically evaluated numerical data

to the scientific and technical community in a convenient and accessible form.

Certain secondary outputs, such as annotated bibliographies and procedures for

computerized handling of data, are also made available. A second aim is to

provide feedback into experimental programs to help raise the general standards

of measurement. That is, by communicating the experience gained in evaluating

the world output of data in the physical sciences, NSRDS helps to advance the

level of experimental techniques and improve the reliability of physical

measurements.

The formal existence of the NSRDS dates from 1963, when the Federal

Council for Science and Technology asked the National Bureau of Standards to assume primary responsibility in the Federal Government for promoting and

coordinating the critical evaluation of numerical data in the physical

sciences. The program was conceived as a decentralized national effort, with

financial support coming from a variety of Government and private sources, but

with NBS responsible for the overall planning and coordination. In 1968 the

Congress provided a specific legislative mandate for the program through

passage of Public Law 90-396, the Standard Reference Data Act.* This act

states the policy of the Congress to make reliable reference data available to

scientists, engineers, and the general public, and it encourages cooperation

among NBS, other Federal Agencies, and the private sector in meeting this

objective.

The technical scope of the program gives primary emphasis to well-defined

physical and chemical properties of substances and systems which are well

characterized. Also included are materials of commerce (alloys, ceramics,

etc.) whose composition may vary only within clearly stated ranges. Materials

of uncertain or widely variable composition are not included. Properties

which depend upon arbitrarily defined characteristics of the measurement

technique are generally excluded. While these definitions leave many borderline cases, the overall intent is to concentrate the effort on intrinsic

properties that are clearly defined in terms of accepted physical theory and

substances whose composition and history are so well known as to justify

evaluation of the data. Biological properties and data relating to large

natural systems (e.g. , the atmosphere, the oceans) also fall outside the

program.

The Office of Standard Reference Data monitors and coordinates the work

of the various data centers and specialized projects which collectively make

up the NSRDS. These projects are located in the technical divisions of NBS

and in universities, industrial laboratories, and other Government laboratories.

Close association between data evaluation projects and relevant experimental

research programs helps provide the critical judgment which is essential to

assure the reliability of the final output.

*See Appendix G.

1
The principal output of the program consists of compilations of evaluated

data and critical reviews of the status of data in particular technical areas. Evaluation of data implies a careful examination, by an experienced specialist,

of all published measurements of the quantity in question, leading to the

selection of a recommended value and statement concerning its accuracy or reliability. The techniques of evaluation depend upon the data in question,

but generally include an examination of the method of measurement and the

characterization of the materials, a comparison with relevant data on other

properties and materials, and a check for consistency with theoretical

relationships. Adequate documentation is provided for the selection of

recommended values and accuracy estimates.

Evaluated data produced under the NSRDS program are disseminated through

the following mechanisms:

Journal of Physical and Chemical Reference Data - A quarterly

journal containing data compilations and critical data reviews,

published for the National Bureau of Standards by the American

Institute of Physics and the American Chemical Society.

NSRDS-NBS Series - A publication series distributed by the

Superintendent of Documents, U.S. Government Printing Office.

Appropriate publications of technical societies and commercial

publ ishers.

Magnetic tapes, on-line networks, and other computer-based formats.

Response by OSRD and individual data centers to inquiries for

specific data.

2
OSRD COOPERATIVE ACTIVITIES

Important to the success of the Standard Reference Data Program are the

ability to be aware of data requirements in the U.S. technical community, and

the assistance of that community in accomplishing the job of providing needed

data.

As a result, the Standard Reference Data Program carries out much of its

work in collaboration with industrial and professional groups. These cooperative activities provide considerable assi stance-i n-kind to the Program as well

as highly effective routes for the dissemination of needed databases.

This section of the Annual Report describes OSRD's major cooperative

activities. Through some of these arrangements we also bring outside

scientists to work at NBS, thus taking advantage of an expertise which may not

exist in the Data Centers.

JOINT NUMERICAL DATA PUBLICATION PROGRAM WITH THE AMERICAN CHEMICAL SOCIETY

AND THE AMERICAN INSTITUTE OF PHYSICS

In 1972, an agreement was reached between the NBS Office of Standard

Reference Data (OSRD), the American Chemical Society (ACS), and the American

Institute of Physics (AIP) for the publication of the Journal of Physical and

Chemical Reference Data (JPCRD). The Journal, which is now in its eleventh

year of publication, is the major printed output channel for the National

Standard Reference Data System (NSRDS).

The Journal presents compilations of physical and chemical property data

which have been critically evaluated by scientists who are knowledgeable in

the pertinent field of research. However, it is not simply a collection of

data tables. Its basic philosophy is that all compilations should be fully

documented as to the original source of the measurement data and the criteria

used to select and evaluate these data. Articles in the Journal also may take

the form of critical reviews which discuss experimental error sources and

assessments of the overall reliability of data in a particular field. Such

reviews serve to point out state-of-the-art experimental technology and gaps

in available information.

The American Chemical Society handles promotion and subscriptions to the

Journal as well as sales of bound offprints of articles, a unique service of

JPCRD. The American Institute of Physics carries out composition, printing,

and mailing, while the National Bureau of Standards provides technical and

editorial control. The Journal of Physical and Chemical Reference Data is the

only scientific journal listed as both an ACS and AIP publication.

The participation of the ACS and the AIP in sponsoring this effort and

actively disseminating the results to their membership gives recognition to

the importance which professional societies attach to this endeavor.

AMERICAN SOCIETY FOR METALS/NBS PHASE DIAGRAM PROGRAM

The American Society for Metals/National Bureau of Standards (ASM/NBS)

joint program on alloy phase diagrams has been active since 1978. Under this

program, phase diagrams for binary and higher-order alloys are being evaluated,

and recommended phase information is entered into a computerized database.

3
The project is well on the way to meeting its goal of creating a comprehensive

set of reference phase diagrams which will meet the needs of materials scientists

in industry, universities, and government.

The phase diagrams are evaluated by experts in their fields (referred to as category editors) who are selected by oversight committees. Each category

editor is responsible for evaluating alloy phase diagrams for one or more assigned elements (e.g., aluminum). ASM provides computerized bibliographic

references as well as hard copies of the pertinent literature to the category

editors. When completed, the evaluations are rigorously reviewed under

supervision of NBS. Upon acceptance of an evaluation, the graphical and

numeric data are entered into a computerized database. In addition, the text

and the computer-drawn phase diagrams are published in the joint ASM/NBS

"Bulletin of Alloy Phase Diagrams."

NBS is responsible for assuring the technical accuracy of the data and

setting up a prototype database. To do this, NBS has committed resources in

the Metallurgy Division of the Center for Materials Science, in the Office of

Standard Reference Data, and in the Mathematical Analysis Division of the

Center for Applied Mathematics. The Alloy Phase Diagram Data Center in the

Center for Materials Science is responsible for the NBS work. The data center

also houses the category editors of the titanium, aluminum, and iron binary

alloy systems. In addition, through the Office of Standard Reference Data and

the Center for Materials Science, NBS provides funding for several other

category editors.

The evaluation of a phase diagram is performed by understanding the

original data and resolving any discrepancies. The phase stability described

by the phase diagram is completely governed by the thermodynamics of the

phases. Hence, a suitable thermodynamic model is used as an evaluation tool.

In addition to providing much needed information about the equilibrium of

phases, the thermodynamic model also provides information on metastable

phases. The NBS Alloy Phase Diagram Data Center is developing and refining

computerized thermodynamic models to accurately predict phase diagrams. The

editors at NBS are working closely with internationally known scientists and

other category editors to perfect this thermodynamic model and to make it an integral part of each evaluation effort.

INDUSTRY/NBS CERAMIC PHASE DIAGRAM SERVICES

In December 1982, the American Ceramic Society (ACerS) and NBS signed a three-year agreement that formally institutes a joint program to provide

improved evaluated ceramic phase diagrams and related data to better serve the

$50 bi 1 1 ion-a-year ceramic industry.

Under the agreement, NBS, through the Phase Diagrams for Ceramists Data

Center in the Inorganic Materials Division, Center for Materials Science, is

responsible for overall guidance on the technical aspects and reliability of

the data evaluations. The data center will provide coordination with other

phase diagram compilation centers, compile evaluated phase equilibria data,

and maintain a bibliographic data bank.

The agreement calls for ACerS to develop program and funding support from

industry, government, and foundation sources and to publish and market "Phase

4
Diagrams for Ceramists" and associated publications. The evaluated data will

be published and disseminated through the National Standard Reference Data

System and ACerS channels.

ACerS also has agreed to sponsor a research associate program at NBS to

help compile evaluated ceramic equilibria data and other associated data in

both hard copy and computer-retrievable form. This will include compilations

of evaluated binary and higher-order diagrams and related data in a form which

enables retrieval and display in alphanumeric and/or graphic form. Currently,

ceramic phase diagrams are available only in hard copy.

NATIONAL ASSOCIATION OF CORROSION ENGINEERS/NBS JOINT PROGRAM

The National Association of Corrosion Engineers (NACE) and NBS have set

up a joint program to provide evaluated corrosion data on alloys and other

materials. This program will give industry and others critically needed data

for the design of products that are susceptible to the effects of corrosion.

Corrosion cost the United States an estimated $126 billion in 1982, and this

new cooperative program is aimed at reducing these costs by better utilization

of materials and application of good corrosion-prevention practices.

The NACE/NBS program is designed first to develop criteria for evaluating

different types of corrosion data, then to proceed with the actual evaluation.

Through its Data Program Committee, NACE has agreed to help raise financial

support from industry and to work with NBS to define the priorities and scope

of the individual projects. The evaluated data resulting from the program

will be distributed through new and traditional NACE publications as well as

by computerized databases.

NBS, through the combined efforts of the Metallurgy Division of the

Center for Materials Science and the Office of Standard Reference Data, has

established a Corrosion Data Center. The NBS data center will be responsible

for overall guidance of the technical aspects of the program and will assure

reliability of the data evaluations. Evaluated data made available to the users will be part of the National Standard Reference Data System.

Several pilot projects will constitute the initial phase of this program.

One will focus on corrosion-rate data for stainless steels in aqueous chloride

solutions; another on atmospheric corrosion-rate data for structural alloys.

The emphasis will be not only on the data themselves but also on how to

evaluate these types of data.

NBS also plans to develop computer software to store and evaluate corrosion

data. The first effort along these lines will be to develop software to

generate potential -pH diagrams, also called stability diagrams. These provide

basic information for determining the chemical, electrochemical, and corrosion

properties of materials.

Both NACE and NBS view these projects as the beginning of a long-term

effort to improve the quality of corrosion data and therefore to reduce the

effects of corrosion.

5
JOINT NBS/AMERICAN INSTITUTE OF CHEMICAL ENGINEERS - INDUSTRY COOPERATIVE

PROGRAM FOR EVALUATED NUMERICAL DATA

The Design Institute for Physical Properties Data (DIPPR) is a collaborative project involving NBS, the American Institute of Chemical Engineers

and some 40 odd industrial organizations. Its purpose is to provide reference

data for the chemical industry by critical evaluation and by experimental

measurement.

DIPPR was founded in 1979. Administratively, it is an activity of the

American Institute of Chemical Engineers. Interested organizations become

members of DIPPR by paying yearly dues on a graduated scale. These dues cover

the administrative costs of DIPPR. Interested organizations can also support

any of the projects of DIPPR by paying yearly fees which depend on the size of

the organization, the size of the project and the number of supporters of the

project. At present, there are 6 projects: three involving the critical

evaluation of data and three experimental measurements. An additional experimental project has been completed. Organizations supporting DIPPR include

companies which manufacture chemical or petrochemicals, process and plant

designers, and organizations which provide a variety of services to the

chemical industry.

DIPPR projects are carried out by contract under the direction of an advisory committee selected by the industrial supporters. Reports are available

to sponsors when written and are published in the open literature after one

year. Products include research papers, data tables, data books, and data

tapes.

NBS, through the Office of Standard Reference Data, played an active role

in helping the industry get DIPPR started and cooperates with it in a number

of ways which are spelled out in a research agreement between the two organizations. These include direct support of DIPPR projects by OSRD, and carrying

out of work for DIPPR at NBS.

Provision of critically evaluated reference data to the chemical industry

is a major goal of DIPPR and of OSRD; the programs of the two organizations

complement and enhance one another. NBS staff serve on a variety of DIPPR

technical and administrative committees in order to maintain close coordination

between the two programs.

STANDARD REFERENCE DATA DISSEMINATED THROUGH AGREEMENT WITH THE JOINT

COMMITTEE FOR POWDER DIFFRACTION STANDARDS - INTERNATIONAL CENTRE FOR

DIFFRACTION DATA

A new cooperative effort has been established by the Office of Standard

Reference Data (OSRD) and the Joint Committee for Powder Diffraction StandardsInternational Centre for Diffraction Data (JCPDS-ICDD) for the collection and

dissemination of evaluated crystal lographic diffraction data to the scientific

and technical community. Under the agreement, JCPDS-ICDD will distribute NBS

crystallographic databases in machine-readable form and as separate publications,

and will assist the NBS Crystal Data Center in collecting and evaluating data

for use in building and maintaining the computer databases.

The first NBS database JCPDS-ICDD will distribute is the NBS Crystal Data

Identification File, which contains chemical and crystallographic information

6
on more than 60,000 organic, inorganic, and metallic substances. The data

contained in this file can be used to identify uniquely unknown crystalline

compounds. JCPDS-ICDD also will publish additional volumes in the NBS Crystal

Data Determinative Table Series . The next two volumes, scheduled for 1983-1984,

contain crystallographic data for more than 30,000 organic compounds collected

by the NBS Crystal Data Center and the Cambridge Crystallographic Data Centre

in the United Kingdom.

Diffraction data are used by scientists in industry, academia, and

government research laboratories for characterization of solid crystalline

structures and as an analysis for unknown materials. The JCPDS-ICDD/NBS

agreement will ensure that reliable crystallographic data are available.

NBS/INTERAGENCY COOPERATIVE AGREEMENT FOR THE OPERATION OF THE CHEMICAL

INFORMATION SYSTEM

The Chemical Information System (CIS) is an on-line service which provides

access to a number of databases and computational programs of chemical interest.

The CIS was initiated by the Environmental Protection Agency (EPA) and the

National Institutes of Health. NBS and other federal agencies have subsequently

joined in its development and operation. The system is used within these

agencies, by their contractors and grantees, and by the general public.

Interagency collaboration has led to efficiencies in operation of the CIS and

helped users by providing a single focal point for a wide variety of chemical

information. Funding for the system is provided by the cooperating agencies.

The signatory agencies to the cooperative agreement include, in addition

to the three already designated, the Food and Drug Administration (FDA) and

the Consumer Product Safety Commission (CPSC). Other agency participation

includes the National Library of Medicine (NLM) and the National Cancer

Institute (NCI).

In order to provide for the continued development and smooth operation of

CIS the agencies have formed a Management Board. This Board, consisting of

representatives of the cooperative agencies, establishes overall policy and

goals, proposes an annual budget for submission to the individual funding

agencies, establishes a schedule for database updates and system improvements,

reviews and recommends addition of new components on the system, establishes

procedures for assuring data quality, and provides general advice for the

smooth operation and growth of the system.

In addition to participating in the CIS management function as the NBS

representative, the Office of Standard Reference Data (0SRD) is contributing

databases to the CIS system. These include the EPA/NIH Mass Spectral Data

File, the NBS Tables of Thermodynamic Properties File and the Crystal Data

Identification File. The proceeds from the sale of these databases are used

by the 0SRD to support CIS and other database activities.

7
PROGRAM STRUCTURE

Current activities in the Standard Reference Data program are carried out

in 23 data centers and approximately 31 short-term projects located in the

technical divisions of NBS and in academic and industrial laboratories. Each

of these activities undertakes the collection and evaluation of the available

data on a specified set of properties and substances. The activities are aggregated into three application-oriented program areas:

Energy and Environmental Data - Includes data from fields such as chemical kinetics, spectroscopy, and radiation physics and chemistry

which have application to energy- rel ated R & D and environmental

monitoring and modeling.

Industrial Process Data - Covers primarily thermodynamic and

transport properties of substances important to the chemical and

related industries.

Materials Properties Data - Includes structural, electrical,

optical, and mechanical properties of solid materials of broad

i nterest.

Since comprehensive coverage of all properties and materials of

importance in these three program areas is not feasible, the Office of

Standard Reference Data (OSRD) selects data sets of highest priority, based

upon the present and anticipated applications of the data. The current focus

in each area is described in the sections below.

In addition to its planning and coordinating role, OSRD is responsible

for dissemination of the results from the projects that it supports. The

principal means of dissemination is still hard-copy publications, although

computer-based distribution is becoming more important, as described below.

Response to specific inquiries for data directed to OSRD and the individual

data centers forms another dissemination mode.

The following tables summarize the published output of the program and

the distribution of this output:

Publications in 1983

Series Pages Published Titles Published

JPCRD , Vol . 12 1087 25

NSRDS-NBS Series 21 1

Data Compilations from

other publishers 176 1

8
Publications in 1983 (cont.

)

Seri es Titles Published

Other Publications in

NBS Series 948

Bibliographies and indexes

from other publishers 860

Machine-Readable Data

Bases

Total

s

3092

Subscribers to JPCRD

Month/Year Number

9/1979 1237

9/1980 1234

9/1981 1265

9/1982 1234

9/1983 1230

Inquiries Received1 in 0SRD

(Does not include inquiries received by data centers)

Year Number

1979 882

1980 787

1981 657

1982 613

1983* 1210

Sales of JPCRD Offprints and Supplements

Year Offpri nts Supplements

1979 5981 137

1980 5079 111

1981 4254 137

1982 3567 266

1983* 3081 1666

33

^Projected to end of year

9
ENERGY AND ENVIRONMENTAL DATA

L. H. Gevantman, Program Manager

The objectives of this program are to contribute to the solution of

national energy and environmental problems by providing government and industry

with properly evaluated physical and chemical data. These databases support

the more effective use of present energy sources and the development of new sources while helping to protect public health and safety through the improvement of environmental quality.

Effort is directed toward the compilation, evaluation, and dissemination

of physical property data on materials that are involved in the production,

conservation, and storage of energy. The program impacts such applications as modeling combustion processes for increased energy efficiency, designing

improved batteries for energy storage, and developing new materials and

systems for use in energy production.

Similarly, the provision of physical property data on environmental

pollutant behavior makes an important contribution toward improving air and

water quality. These data support industry's efforts to meet clean air and

water regulations as well as improve health and safety in chemical manufacturing activities. At the same time, they contribute to government (federal,

state, and local) attempts to both regulate and clean up the Nation's environment.

The data required span most of the disciplinary areas embraced by the

OSRD but emphasize the fields of kinetics, thermodynamics, and atomic and

molecular science. The work of compiling and disseminating these data is

performed within 11 data centers supported partially or totally by the OSRD.

In addition, a number of grants are awarded for short-term data projects which

enlarge the scope of the program.

There is continued progress in the energy program, particularly relating

to fusion energy. A publication on atomic energy levels of silicon has been

issued. The work on atomic transition probabilities, particularly the transition metals, will be completed and published. Work of astronomic and atmospheric interest has been augmented with the issuance of two reports on the

atomic energy levels of oxygen ions. Similarly laser technology and energy

transfer phenomena have been addressed in three reports from the Atomic

Collision Cross Section Data Center.

In the nuclear area, a report has been issued on atomic form factors and

photon cross section data will soon appear on magnetic tape. The first volume

of photonuclear data sheets covering hydrogen and helium has also been issued.

New directions in the Chemical Kinetics Data Center will address combustion and high temperature reaction processes. A manuscript covering the

reactions of methane is almost complete. The high temperature kinetic rate

constant data sheets project will continue with the publication of its first

report in the Journal of Physical and Chemical Reference Data. New data

sheets on the reactions of oxygen and hydrogen atoms with organic compounds

will be issued in the coming year.

10
Environmental concerns have also been addressed in the program. Solubility

data on coal derived substances have been evaluated and will be published in

1984. Data on oxygen and ozone solubilities have been published with nitrogen

and air solubilities soon to follow. Similarly new efforts dealing with the

distribution and ultimate fate data of chlorinated biphenyls in the

environment have been undertaken.

In kinetics the new directions have import in tropospheric chemistry

relating to smog formation and toxic substance production. Work on the

kinetics of transients in solution continues with emphasis on photolytic as well as ionizing radiation processes. Two manuscripts will be completed in

the coming year.

Close association with the IUPAC Solubility Data Project continues. A

workshop on numerical data quality indicators was held at NBS under the joint

sponsorship of the Chemical Manufacturers Association, the Environmental

Protection Agency and the NBS. A report on the results has been issued.

Similarly a symposium on Numerical Data Quality was held during the AugustSeptember ACS meeting and was well attended. The program's participation in

the Chemical Information System (CIS) activities continue. The conversion of

infra red data to digitized form has not yet taken place. It is anticipated

that a contract will be let by the end of 1983. Other databases however, have

been mounted on the CIS (Thermo and Xtal).

The data centers within the NBS as well as outside affiliates continue

their progress to achieve automated data files for use within their respective

centers. Some will also produce numerical data files on magnetic tape for use

by the scientific public at large.

11
PUBLICATIONS IN 1983: An Annotated Compilation and Appraisal of Electron

Swarm Data in Electronegative Gases , J. W. Gallagher,

E. C. Beaty, J. Dutton, and L. C. Pitchford, JPCRD,

Vol . 12, No. 1.

The Solubility of Oxygen and Ozone in Liquids , R. Battino, T. R. Rettich, and Toshihiro Tominago,

JPCRD, Vol. 12, No. 2.

Energy Levels of Silicon, Si I through Si XIV , W. C. Martin and R. Zalubas, JPCRD, Vol. 12, No. 2.

Small -Angle Rayleigh Scattering of Photons at High

Energies: Tabulations of Relativistic HFS Modified

Atomic Form Factors , D. Schaupp, M. Schumacher, F. Smend, P. Rullhusen, and J. H. Hubbell, JPCRD, Vol.

12, No. 3.

Chemical Kinetic Data Sheets for High-Temperature

Chemical Reactions, N. Cohen and K. R. Westberg,

JPCRD, Vol. 12, No. 3.

Molten Salts: Volume 5, Part 2. Additional Single

and Multi-Component Salt Systems . Electrical

Conductance, Density, Viscosity and Surface Tension

Data . G. J. Janz and R. P. T. Tomkins, JPCRD, Vol.

12, No. 3.

Evaluated Theoretical Cross Section Data for Charge

Exchange of Multiply Charged Ions with Atoms. I. Hydrogen Atom-Fully Stripped Ion Systems , J. W. Gallagher, B. H. Bransden, and R. K. Janev, JPCRD

Vol. 12, No. 4.

Evaluated Theoretical Cross Section Data for Charge

Exchange of Multiply Charged Ions with Atoms. II.

Hydrogen Atom-Parti ally Stripped Systems , J. W.

Gallagher, B. H. Bransden, and R. K. Janew, JPCRD,

Vol. 12, No. 4.

Recommended Data on the Electron Impact Ionization of

Light Atoms and Ions , K. L. Bell, H. B. Gilbody, J.

G. Hughes, A. E. Kingston and F. J. Smith, JPCRD,

Vol. 12, No. 4.

Selected Tables of Atomic Spectra; Atomic Energy

Levels and Multiplet Table, Q(IV) , C. E. Moore,

NSRDS-NBS 3 Section 10.

Selected Tables of Atomic Spectra; Atomic Energy

Levels and Multiplet Tables, 0(111), C. E. Moore,

NSRDS-NBS 3, Section II.

12
Photonuclear Data - Abstract Sheets 1955-1982 , Vol. 1

(Hydrogen-Helium) E. G. Fuller, H. Gerstenberg,

NBSIR-83-2742.

Biweekly List of Papers on Radiation Chemistry and

Photochemistry , A. B. Ross, Vol. 16.

Annual Cumulation of Papers on Radiation Chemistry

and Photochemistry 1982 , A. B. Ross, Vol. 15.

13
INDUSTRIAL PROCESS DATA

H. J. White, Jr. Program Manager

The chemical industry has continuing need for reference data. The design

of every piece of equipment involves a calculation requiring input and output

specifications and data on the properties of the substance or substances

concerned. The types of data most frequently needed are data on thermodynamic

and transport properties. This program is designed to provide these data.

Interest in reference data has increased in the chemical industry in

recent years. Evidence for this is given by the rapid development of DIPPR,

the industry's own reference data program, which is carried out under the

auspices of the American Institute of Chemical Engineers. There are several reasons for this increased interest. The increasing use of the computer in

the design process is one. The speed and flexibility of the computer allow

the design engineer to evaluate many options and to optimize the design

according to various strategies. Another is the desire to minimize overdesign

so as to improve productivity and lower the break-even point for utilization

of the process. There will always be uncertainties in data and calculations

for which the design engineer compensates by overdesigning. However, if good

design data are available, the design engineer can work to closer tolerances

and minimize overdesign.

For administrative purposes, it is convenient to group thermodynamic

activities. Those which involve chemical reactions and which can be called

thermochemical processes form one group, and those in which the substances

involved retain their identities throughout the process and which can be

called thermophysical form another. The expansion of steam through a turbine

is an industrially important example of the latter. In addition, thermodynamic processes can be grouped in accordance with whether they involve

single substances or mixtures or solutions. Both categories are important.

Industry necessarily deals extensively with mixtures, however, the understanding of the behavior of single substances is also industrially important

and provides the basis for treatments of mixtures. Thermochemical or thermophysical processes can, of course, involve either mixtures or single substances.

The program in industrial process data is balanced to provide attention to

thermochemical and thermophysical processes, single substances and mixtures.

Transport properties are grouped with the thermophysical processes. The

program for each data center or project is described separately.

There are two major thrusts that currently influence the activities in

most data centers and many projects. These are automation and cooperative

activities. They are not unrelated because often the key to effective cooperative activities involves the easy exchange of databases and other products

between data centers and the checking of the evaluations of one group by

another. A level of automation which supports such easy exchanges thus

assists cooperative activities.

The program on industrial process data is cooperating with DIPPR, which

has been mentioned already, in a variety of ways. One is the development of

automated versions of DIPPR' s reference data compilation. Other cooperative

activities involve the development of internationally recognized steam tables

in cooperation with the International Association for the Properties of Steam,

14
and internationally

the auspices of CO”

of special ized sof
PUBLICATIONS IN 1983: Thermodynamic Properties of Steam in the Critical

Region , J. M. H. Levelt Sengers, B. Kamgar-Parsi , F. W. Balfour, and J. V. Sengers, JPCRD Vol. 12, No. 1.

Heat Capacity and Other Thermodynamic Properties of

Linear Macromolecules . VII. Other Carbon Backbone

Polymers Umesh Gaur, Brent B. Wunderlich, and

Bernhard Wunderlich, JPCRD Vol. 12, No. 1.

Heat Capacity and Other Thermodynamic Properties of

Linear Macromolecules . VIII. Polyesters and

Polyamides , Umesh Gaur, Suk-fai Lau, Brent B. Wunderlich, and Bernhard Wunderlich, JPCRD Vol. 12,

No. 1.

Evaluation of Binary PTxy Vapor- Li quid Equilibrium

Data for C fi Hydrocarbons. Benzene + Hexane , Buford

D. Smith, 01 Muthu, and Ashok Dewan, JPCRD Vol. 12,

No. 2.

Evaluation of Binary Excess Enthalpy Data for C fi Hydrocarbons. Benzene + Hexane , Buford D. Smith, 01

Muthu, and Ashok Dewan, JPCRD Vol. 12, No. 2.

Evaluation of Binary Volume Data for C fi Hydrocarbons.

Benzene + Hexane , Buford D. Smith, 01 Muthu, and

Ashok Dewan, JPCRD Vol. 12, No. 2.

Thermodynamic Properties of D-,0 in the Critical

Reqion, B. Kamqar-Parsi , J. M. H. Levelt Sengers and

J. V. Sengers, JPCRD Vol. 12, No. 3.

International Tables of the Surface of Water , N. B. Vargaftik, B. N. Volkov and L. D. Voljak, JPCRD Vol.

12, No. 3.

A Correlation of the Viscosity and Thermal

Conductivity Data of Gaseous and Liquid Ethylene , P. M. Holland, B. E. Eaton and H. J. M. Hanley, JPCRD

Vol. 12, No. 4.

Transport Properties of Liquid and Gaseous P 9 0 over a Wide Range of Temperature and Pressure , N. Matsunaga

and A. Nagashima, JPCRD Vol. 12, No. 4.

Thermochemical Data for Gaseous Monoxides , J. B. Pedley and E. M. Marshall, JPCRD Vol. 12, No. 4.

Vapor Pressures of Coal Chemicals , J. Chao, C. T. Lin, and T. H. Chung, JPCRD Vol. 12, No. 4.

16
Manual for Predicting Chemical Process Design Data

Data Prediction Manual , R. P. Danner, and T. E. Daubert, Design Institute for Physical Property Data,

American Institute of Chemical Engineers.

Bulletin of Chemical Thermodynamics , Volume 26, 1983,

Robert D. Freeman, Editor, IUPAC Commission on Thermodynamics and Thermochemistry, Oklahoma State

University Press.

Thermophysical Properties of Helium , Magnetic Tape 5,

Magnetic data tape available from the Office of

Standard Reference Data.

Interactive Fortran Program to Calculate

Thermophysical Properties of Six Fluids , Magnetic

Tape 6, Magnetic data tape available from the Office

of Standard Reference Data.

17
MATERIALS PROPERTIES DATA

J. R. Rumble, Jr., Program Manager

The past year has been an exciting one for the Materials Properties Data

Program. Highlights include major compilations of evaluated data, cooperative

agreements on joint data activities with technical societies, and new data

evaluation activities. The program has five components as shows in Table 1.

In each area, projects are underway and new activities are planned, depending

on funding.

The work is accomplished in a variety of ways. Four ongoing data centers

exist: Crystal Data, Alloy Phase Diagrams, Phase Diagrams for Ceramists, and

Corrosion. The latter is new as of 1983. Each of these has cooperative

agreements linking its activities to major outside technical groups (Table 2).

This ensures that the data center work addresses the needs of the U.S. research

and technical communities. Projects are often jointly funded and, in some

cases, substantial amounts of industrial support have been raised for these

programs.

OSRD also sponsors a number of short-term evaluation projects that

address specific data needs within the framework given in Table 3. These are handled both inside and outside NBS. Often these represent pilot projects

within new programs to demonstrate feasibility and types of output, to serve

as models for larger efforts, and to get the programs going.

Finally, a major part of the program is to help user groups articulate

their evaluated data needs, set up structures to address them, and find

necessary support. In the past year several such efforts have taken major

steps forward, especially in the area of mechanical properties data.

Let us touch on the highlights within each component, new areas of

activity will also be pointed out.

Structure and Characteri zation

The structure and characterization of solid materials is extremely

important. The identification of unknown substances has always been a major

use of evaluated data. The NBS Crystal Data Center has developed powerful

techniques for rapidly identifying crystalline substances. Computer-readabl

e

databases supporting this work are being distributed, and it is hoped that

they will be integrated into diffractometers within the next few years. The

NBS Crystal Data Center this year published Volumes V and VI of the Crystal

Data Determinative Tables Series. These volumes contain data on over 25,000

compounds as collected by the Cambridge Crystal lographic Data Centre. The NBS

Data Center interaction with the International Centre for Diffraction DataJCPDS (ICDD-JCPDS) continued on a high note. Next year, the ICDD-JCPDS will

have a research associate at the NBS center working on software to be used

with the NBS Crystal Data Identification File.

Surfaces as well as bulk materials have received a great deal of attention, especially with progress in miniaturization of electronic components and

catalysis. Over the last 20 years, a number of techniques involving electron

and photon spectroscopies have been developed to characterize surfaces, and

13
the data generated is in need of evaluation. One project on ESCA data is

underway, but many more are needed. During the next year, OSRD will be

working with the Surface Science Division in the Center for Chemical Physics

to develop priorities and begin addressing them.

Physical Properties

In this area, needs for evaluated data on superconducting materials have

been presented to OSRD. Depending on funding, a project will be established

in this area. Funding for the Diffusion in Metals Data Center was eliminated,

beginning FY 84. This center has completed a definitive volume of evaluated

diffusion data for copper and its alloys. As new needs for diffusion data

become apparent, projects will be established.

Phase Equilibria

NBS, through the Center for Materials Science (CMS) and OSRD, has three

major programs for evaluating phase data for alloys, ceramics, and polymeric

blends. These major programs are wel 1 -integrated into the user communities,

and significant progress was achieved in all three this year.

The Alloy Phase Diagram Center is the focal point of the NBS/American

Society of Metals (ASM) joint program to evaluate all alloy phase diagrams.

Over the last year, the Alloy Center has continued to exert vigorous technical

leadership. A major data evaluations workshop was held, the Bulletin of Alloy

Phase Diagrams published over 50 new diagrams, and work on prototype databases

began seriously. OSRD supports the program in two major ways: direct support

of the data center and support of individual evaluation projects (see Table

3).

The Phase Diagrams for Ceramists Data Center concluded a major agreement

with the American Ceramics Society (ACerS) which strengthens their joint

program on evaluated data. ACerS has begun fund-raising efforts, and the NBS

data center has established vigorous programs in database graphics and thermodynamic modeling. In addition, new systems such as molten salts are receiving

attention.

Phase data for polymeric blends are important in developing new and

improved polymers. NBS and the Society of Plastics Engineers (SPE) have

concluded an agreement for a joint program to generate reference data in this

area. The program will build on the existing data group at NBS and this year

will identify an appropriate pilot project.

Performance Properties

Corrosion

The economic impact of corrosion in the U.S. was estimated to be about

$125 billion in 1982. Clearly this effort could be substantially reduced by

application of more resistant materials. The National Association of

Corrosion Engineers and NBS signed a cooperative agreement last year which

will provide the technical community with evaluated corrosion data. The

Metallurgy Division (CMS) and OSRD have established the NBS Corrosion Data

Center to act as the technical focal point of this program. This year an

19
initial pilot project has been started to define criteria for evaluation of

corrosion rate data and apply them to data for stainless steel in chloride

solutions. Other projects will be started in 1984 in the area of stability

diagrams for Fe systems with emphasis on their computer generation.

Mechanical Properties

OSRD has been working closely with outside groups to address a variety of

problems related to mechanical properties data. In particular, the Metals

Properties Council (MPC) has developed a major effort to provide computerized

access to materials property data. The Office has interacted strongly with

this project and has developed a four-pronged effort involving data evaluation,

data standardization, database creation, and user workshops.

The evaluation of mechanical properties data until now has been concentrated in areas of high technology such as nuclear power generation and aerospace.

Working with other groups, such as ASME and MPC, OSRD is interested in seeing

established a broader scope of activity that will positively affect the

quality of data in less esoteric applications. Several projects are being

planned for the next year.

Computer access to mechanical properties data will cause new problems

with respect to standardization of data generation and reporting. Data on computers can quickly lose its pedigree, be combined incorrectly with inappropriate data, and misused in other ways. OSRD has had conversations with ASTM

and SAE about rethinking present standards and looks forward to progress in

this area. To provide a basis for understanding, OSRD has started a project

with General Electric to examine the problems associated with a small set of

properties and materials.

The MPC materials property data network will involve linking together

many databases on a variety of properties created by interested parties. For

such a system to be useful , more databases must be created from the new existing published compilations. MPC and OSRD will work together to persuade

publishers, societies, and other groups to begin building the needed databases

more intensely.

Last November OSRD, in conjunction with CODATA and Fachinformationszentrum

(West Germany), sponsored a Workshop on Computerized Materials Data Systems.

This workshop was attended by 75 persons who recommended that the interested

groups, industry, technical societies, and Government begin immediately to

bring such capability into being. The MPC has recognized this strong endorsement of their effort and is moving ahead.

A key ingredient to success in this type of project is strong user input

from the beginning. To this end, NBS and MPC have set up a series of user workshops to be held next year addressing the needs in each of three application areas: ground transportation, nuclear power generation, and aerospace.

These workshops will be sponsored by groups including NBS, MPC, EPRI, SAE,

ASM, and AIAA. From the the workshops will hopefully come detailed needs and

the way will be paved for industrial acceptance and support of the system.

20
Summary

Inherent in all the above activity is the need for increased resources.

At present, OSRD has stretched its existing resources extremely thin. The

industrial community has turned to OSRD for leadership, and OSRD is working to

provide. A major effort this year will be mounted to attract from NBS and

other government agencies the attention these activities deserve and to turn

that attention into direct support.

Table 1

OSRD Materials Properties Data Program

Structure and Characterization

Physical Properties

Phase Equilibria

Performance Properties

Corrosion

Mechanical Properties

Table 2

Major NBS-Outside Data Agreements

American Society of Metals

American Ceramic Society

Internal Centre for Diffraction Data-JCPDS

Society of Plastics Engineers

National Association of Corrosion Engineers

(Alloy Phase Diagrams)

(Phase Diagrams for Ceramists)

(Crystal Data)

(Polymeric Blend Phase Diagrams)

(Corrosion Data)

21
Table 3

OSRD Material Properties Data Program

Structure and Characterization

Crystal lography

NBS Crystal Data Center

JCPDS - ICDD

Cambridge Crystallographic Data Centre

Cation-Nitrogen Distance (U. II 1

. -Chicago)

Surfaces

ESCA data Project - Surtax, (CA)

Physical Properties

Optical

Refractive Index - CINDAS (Purdue)

Superconductivity (not yet funded)

Phase Equilibria

A1 loys

NBS Alloy Phase Diagram Data Center

NBS/ASM Phase Diagram Program

Fe, Al, Ti - NBS

V, Nb - Ames

Cr - U. Alabama

Cu - Carnegi e-Mellon

Rare Earths - Iowa State

Alkalis - Montreal

Ceramics

NBS Phase Diagrams for Ceramists Data Center

Molten Salts - Montreal

Thermochemistry

Thermochemistry of Alloy and Elements - CINDAS (Purdue)

Corrosion

NBS Corrosion Data Center

NBS/NACE Corrosion Data Program

Stainless Steels in Aqueous Chlorides - Georgia Tech

Mechanical Properties

Computerized Materials Data Systems

Metals Properties Council

Data Standardization - General Electric

Data Validation - (not yet funded)

22
PUBLICATIONS IN 1983: Diffusion Rate Data and Mass Transport Phenomena for

Copper Systems, Part II , D. B. Butrymowicz, Volume 8

of the INCRA Series on the Metallurgy of Copper

(International Copper Research Association, Inc. , New

York) , 701 pp.

"Crystal Data Determinative Tables." U. S. Department of Commerce, National Bureau of Standards

and the JCPDS—International Centre for Diffraction

Data, Swarthmore, PA, Vol. 5, 3rd edition (in press).

"Crystal Data Determinative Tables." U. S. Department of Commerce, National Bureau of Standards

and the JCPDS— International Centre for Diffraction

Data, Swarthmore, PA, Vol. 6, 3rd edition (in press).

Space-Group Frequencies for Organic Compounds , A. D. Mighell, V. L. Himes and J. R. Rodgers, Acta Cryst .

,

A39, (in press).

Bulletin of Alloy Phase Diagrams, Vol. 4 (1983) .

Includes NBS evaluations for:

Ti-Cu Fe-Ru Al-Na

Al-Be Ti-Au Al-Sn

Al-Zn Al-In

Ti-Ag Ti-Cd

Al-Ga Fe-Os

23
AUTOMATION

J. R. Rumble, Jr., Program Manager

The growth of technology and increase in the availability of computers

have given rise to a demand for data dissemination by computer-based methods.

This demand has coupled with a need for more efficient and less costly data

center operation to produce a major commitment by the Office of Standard

Reference Data to automate the internal operations of its data centers and to

develop numerical databases for on-line dissemination.

The highlights of this year's activity include releasing two new databases,

the arrival of a new NBS typography system and the installation of a dedicated

data center facility.

Numerical Databases

Two new NBS Standard Reference Databases have been released to the

public. They are "Thermophysical Properties of Helium" and the "Interactive

Fortran Program to Calculate Thermophysical Properties of Six Fluids" (NBS

Standard Reference Databases 5 and 6). Both are interactive programs which

calculate reference data from well -treated models.

OSRD now has six databases available (Table I). In addition, three of

them are available on various on-line networks.

Table I

NBS STANDARD REFERENCE DATABASE On-line Availability

1 . NBS/NIH/EPA/MSDC Mass Spectral

Data Base

CIS, Questel

2. NBS Chemical Thermodynamics

Data Base (NBS Tech Note 270)

CIS

3. NBS Crvstal Data Identification

File

- CIS, CISTI

4. NBS Thermophysical Properties of

Hydrocarbon Mixtures (TRAPP)

5. Thermophysical Properties of Helium

6. Interactive Fortran Program to

Calculate Thermophysical Properties

of Six Fluids

24
Activities in this area for the coming year include creation of a database

for the JANAF tables and the writing of software packages for The Chemical

Thermodynamics, Single Crystal ID File and JANAF databases. These packages

could be distributed with the database. Also, if time permits, the three

interactive programs will be adapted to BASIC and put on a media suitable for

personal computers.

Computing Facilities

Two substantial improvements to OSRD computer hardware and software were

made in 1983. First, a standard typography system was obtained by NBS which

will replace the GPSDC system previously used. The vendor supported product

made by Bedford will greatly increase OSRD's ability to produce the com- plicated manuscripts common among our publications.

In addition, OSRD's HP1000 computer and associated software is now operational and being used. We have configured it identically to the other

HP1000 in The Center for Chemical Physics and anticipate extensive usage and

cooperation for data entry and database work.

Database Activities

The emphasis of OSRD's internal effort over the past year has been in

setting in place the tools described above. OSRD also sponsored for the data

centers a course in Modern Programming Practices in which the concepts of

structural programming and design were presented. This week-long course was

very well received.

Individual data centers continued to make great progress in their database

efforts. Table II summarizes the on-going projects in this area.

Table II

OSRD Activities in Numerical Data Bases

Crystal Data

NBS Crystal Data Identification File

NBS Master Crystal Data File (with Cambridge, Bonn, Ottawa)

Chemical Thermodynamics

Inorganic Compounds - NBS

Organic Compounds - Texas A & M

Temperature-Dependent Inorganic (JANAF) - Dow Chemical

Phase Diagrams

Alloy (with ASM)

Ceramics (with ACerS)

Atomic Spectra

Energy Levels

Transition Probabilities

25
Kinetics of Chemical Reactions

Combustion Reactions

Atmospheric Reactions

Photo- initiated (Fast)

Properties of Fluid Mixtures

Hydrocarbons

Polar Molecules

Hel ium

Collision Cross-Sections

Electrons

Photons and Charged Particles

Other Activities

OSRD has become a resource for outside groups who want to build numeric

databases in science. Over the past year, a large number of groups have been

in contact with various staff members. These efforts, which include working

with The Metals Properties Council, AIChE DIPPR project, Chemical Information

System (NIH, EPA), ASM and IUPAC, have been very fruitful.

26
DATA CENTER AND PROJECT REPORTS

The following pages provide brief descriptions of the scope and activities

of each of the continuing data centers and short-term projects within which

the data evaluation and compilation work is carried out. The data centers are listed in alphabetical order by name. The short-term projects are categorized

by the OSRD program area under which they are managed.

27
DATA CENTERS

ALLOY PHASE DIAGRAM DATA CENTER

Kirit Bhansali, Director

Center for Materials Science, NBS

The Alloy Phase Diagram Center collects, evaluates, and distributes phase

stability data for metal alloy systems and is the technical coordinator for

the NBS-ASM Alloy Phase Diagram Program.

The Center is responsible for the technical content and editing of the

Bulletin of Alloy Phase Diagrams , a joint publication with the American

Society for Metals. The Bulletin has rapidly become the prime source of

evaluated phase diagrams. Computer graphics software for phase diagrams has

been developed and is used to help produce the Bulletin.

A vigorous evaluation program for titanium systems, with support by ONR,

is now well in its fourth year, and more than 25 titanium binary systems have

been evaluated. Evaluation of aluminum systems has begun, and ten aluminum

binary systems have been completed. This work is supported in part by DARPA.

In addition, work on iron systems has started. During this evaluation effort,

thermodynamic optimization programs have been enhanced and interfaced with the

graphics software.

Work for designing and creating a database of phase information and

ancillary data is underway. This is being done in close cooperation with the

ASM.

AQUEOUS ELECTROLYTE DATA CENTER

David Garvin, Director

Center for Chemical Physics, NBS

The Center provides the chemical process and related industries with

critically evaluated data on the thermodynamic properties of aqueous electrolyte

solutions including activity and osmotic coefficients, excess and partial

molar properties of solution, solubilities, and equilibrium constants in

solution. It also provides techniques for correlation and estimation of such

properties and information services.

The Center is closely coordinated with the Chemical Thermodynamics Data

Center, using its bibliographic resources and providing it with evaluated data

on aqueous systems as needed.

A database of activity and osmotic coefficients and excess Gibbs energies

has been compiled for approximately 400 aqueous binary electrolyte solutions.

The base contains coefficients for fitting equations for each electrolyte

solution which can be used to calculate activity and osmotic coefficients at a selected molality. An extended Pitzer equation has been applied to 110

electrolyte solutions. All of these activities apply to 25 °C.

Procedures have been developed to calculate the excess, apparent molar

and partial molar properties of aqueous solutions which associate, hydrolyze

28
or hydrate. Excess Gibbs energy, excess enthalpy and heat capacities can be

calculated. These procedures are expected to provide a necessary base for

extending the interpolative and predictive capabilities of the Center to

higher temperatures, mixtures, and complexing ions.

A paper discussing the solubility of gypsum and of chromium ion and its

complexes and a series of bibliographies on aqueous solutions of C0 2 , H 2 S,

H 2 S0 4 , NH3 and CuCl 2 have been prepared for DIPPR.

ATOMIC COLLISION CROSS SECTION DATA CENTER

Jean W. Gallagher, Director

Center for Basic Standards, NBS

The Center's aim is to compile, evaluate, and disseminate data concerning

electron and photon collisions with atoms, simple molecules, ions, and low

energy heavy particles. Emphasis is given to electron-coil isional excitation

and ionization, heavy particle energy transfer, photoionization, photodetachment,

and photofragmentation.

In the past year the Center has collaborated with a number of visiting

scientists and JILA staff members to produce evaluated data publications.

Three will appear in this year's issues of the Journal of Physical and Chemical

Reference Data (JPCRD). Two additional manuscripts are being finalized for

publication next year.

In addition, two new projects were initiated. The first concerns data on the charge transfer of hydrogen and deuterium atoms, and molecules and their

ions with metal vapors; the second concerns an update of the Multiphoton Cross

Section bibliography. Other new projects will be initiated in 1984. Continued

effort will be directed toward the automation of the data center files.

ATOMIC ENERGY LEVELS DATA CENTER

W. C. Martin, Director

Center for Radiation Research, NBS

The Center compiles, evaluates, and disseminates data on energy levels

and spectral lines of atoms and atomic ions. Reliable atomic spectroscopic

data are essential to the interpretation of measurements in such areas as plasma diagnostics and astronomy.

Energy levels for Si(I-XIV), and O(III) and 0(IV) were published in the

Journal of Physical and Chemical Reference Data. More than half of the

updating of the isoelectronic sequences in the iron group series was com- pleted. Other contributions were made to the literature in atomic spectroscopy such as a report to the NAS-NRC Line Spectra Committee on "Systematics

and Regularities in Atomic Spectra."

Future efforts will involve completion of the energy level compilation of

the iron group elements. Work on the energy levels of P(I-XV) will also

continue. A bibliography on atomic energy levels (Supplement III) will be

issued covering the period July 1979 to December 1983. Automation of the data

file and close collaboration with the Atomic Transition Probabilities Data

Center will continue.

29
ATOMIC TRANSITION PROBABILITIES DATA CENTER

Wolfgang L. Wiese, Director

Center for Radiation Research, NBS

The Center's purpose is to compile, evaluate, and disseminate data on atomic transition probabilities and lifetimes of excited levels of atoms and

atomic ions. Interpretation of fusion plasma diagnostic techniques is highly

dependent on the availability of these data.

The atomic transition probability data tables for the allowed lines of

the elements scandium through nickel will be completed this year. Work is now

in progress to compile and evaluate the forbidden lines of these elements.

Effort to create an automated data file continue in cooperation with the

Atomic Energy Levels Data Center and with the OSRD.

Future plans call for the completion of the work on scandium through

nickel. Efforts will be initiated on the transition probabilities of hydrogen

through neon with emphasis on C, N 2 , 02 and Ne. Work on selected heavy

elements (Kr, Zr) will also be started. Continued effort will be invested in

data file automation with the goal of an operative system at the end of

calendar 1984.

CINDAS (Center for Information and Numerical Data Analysis and Synthesis)

C. Y. Ho, Director

Purdue University

West Lafayette, Indiana

This is a large data center which receives support from a number of sources. It compiles and evaluates data on transport properties, heat capacities, thermal expansion, and optical, electronic, and electrical properties

for a wide range of substances. For OSRD, CINDAS has been involved in the

compilation and evaluation of data on thermal conductivity and electrical

resistivity of metals and alloys and the thermal conductivity, viscosity, and

heat capacities of fluids.

Work on a series of publications on the viscosity, thermal conductivity

and heat capacity of a set of seventy-six fluids of industrial importance is

nearing completion. Other OSRD projects involve evaluated optical property

data and thermochemical data for alloys and elements.

CHEMICAL KINETICS DATA CENTER

R. F. Hampson, Director

Center for Chemical Physics, NBS

The Center compiles, evaluates, and disseminates chemical kinetic data in

support of industrial productivity and environmental integrity. It also

develops models and algorithms for the extension and prediction of kinetic

parameters.

30
Approximately, 250 data sheets on elementary reactions relating to

pyrolysis and oxidation of simple hydrocarbons are nearly complete. A manuscript on the elementary combustion reactions of methane will be submitted for

publication. Kinetic data for atmospheric reactions of halogen-containing

species were evaluated. A manuscript on this subject will be completed this

year.

Some shift in emphasis will take place during the next year due to the

maturation of the data on stratospheric reactions and an increase in demand

for data on combustion kinetics. Preparation of evaluated kinetic rate

constants for high temperature combustion reactions will be initiated. The

manuscript on methane combustion will be finalized and submitted for publication.

Effort toward automating the kinetic data file will continue.

CHEMICAL THERMODYNAMICS DATA CENTER

David Garvin, Director

Center for Chemical Physics, NBS

The Center provides the chemical process and related industries with

critically evaluated thermodynamically consistent data which can be used to

establish the equilibrium constants and heats of reaction for important

chemical reactions. It provides data describing the change in the chemical

properties of substances with changes in temperature and at phase-transi tion

points, as well as bibliographic reference services on thermochemistry. In

particular, the Center provides enthalpies and Gibbs energies of formation,

entropies and Cp in the standard state at 298.15 K and 1 bar, enthalpies of

formation at 0 K for inorganic substances and simple organic substances,

transition properties, and thermal functions.

With the publication of "The NBS Tables of Chemical Thermodynamic

Properties" the Center has cleared the way for further development of its

techniques. A major purpose is full automation of the Center's activities.

This will promote internal efficiency and flexibility and pave the way for

easier, more effective cooperation with other data projects. A standardized

procedure has been established for entry of bibliographic data into the system

and preliminary versions exist for reaction catalogs and for the extraction of

data from experimental papers.

The Center is cooperating with four others to produce a set of prototype

tables for CODATA. These tables covering a number of compounds of calcium and

some auxiliary substances will serve two purposes. One, they will demonstrate

the feasibility of producing chemical thermodynamic tables through the cooperative activities of a number of data centers in accordance with the system

outlined in CODATA Bulletin No. 47, "A Systematic Approach to the Preparation

of Thermodynamic Tables." Two, they will provide a model for a new generation

of tables and make them available for review and comment within the thermodynamic community. It should also be mentioned that preparation of the tables

has provided practical experience to those involved in the preparation of

tables using a decentralized highly-automated system.

The Center has prepared the Inorganic Section of the Bulletin of Chemical

Thermodynamics as well as the index to the entire Bulletin. The Bui let' n is

published annually.

31
CORROSION DATA CENTER

G. M. Ugiansky, Director

Center for Materials Science, NBS

The Corrosion Data Center was established in 1983 to provide evaluated

corrosion data to the technical community. It provides technical coordination

for the NBS-NACE Corrosion Data Program.

The Center has begun with two pilot projects. The first is concerned

with developing evaluation criteria for corrosion rate data and applying them

to corrosion of stainless steel in chloride solutions. The second involves

computer generation of chemical stability diagrams (also known as Pourbaix

diagrams) and how to integrate kinetics into them.

CRYSTAL DATA CENTER

A. D. Mighell, Director

Center for Materials Science, NBS

The Crystal Data Center is concerned with crystallographic data that are required for the identification and characterization of solid state materials.

To facilitate the collection, evaluation, and dissemination of these data, a master Crystal Data File is being created, and a fully automated data center

will be based on this file.

The Crystal Data Center has concluded a comprehensive agreement with the

JCPDS-International Centre for Diffraction Data. The agreement provides for

the distribution of the NBS Crystal Data Determinative Tables series and the

NBS Crystal Data Identification File by the JCPDS-ICDD. In addition, the

agreement allows for an increased effort to build and maintain the NBS Crystal

Data Center master file and outputs from it.

The NBS Crystal Data Identification File with data on about 60,000

materials and a computer program for the evaluation of crystallographic data

have been released to the crystallographic community. The Crystal Data

Identification File also is distributed by the on-line NIH/EPA Chemical

Information System. It is updated yearly with new data obtained from the

literature and from allied data centers in England, West Germany, and Canada.

During the past year, the Crystal Data Center has concentrated on publishing the next two volumes in the NBS Crystal Data Determinative Tables series.

These contain data on over 20,000 new organic materials supplied by the Cambridge

Crystallographic Centre. The NBS Center will also be working on search

software for the Crystal Data Identification File.

DIFFUSION IN METALS DATA CENTER

John Manning, Director

Center for Materials Science, NBS

The Diffusion in Metals Data Center is concerned with data on diffusion

rates and mass transport in metals and their alloys.

32
The Center has recently completed a second volume of critically evaluated

data dealing with diffusion in copper alloy systems. This work was done under

a cooperative agreement with the International Copper Research Association

(INCRA) and is published as part of the INCRA series on the Metallurgy of

Copper. It will be a companion to an earlier volume concerned with a different

group of copper alloys. The next evaluation project will be concerned with

diffusion in iron-chromium systems.

The data center is in the midst of an intensive effort to automate. The

large database on diffusion literature is being entered onto an on-line

system, which will allow maintenance, updating, and retrieval of the

information as needed. Specialized bibliographies on selected diffusion will

be prepared as the data are entered into the system.

FLUID MIXTURES DATA CENTER

Neil Olien, Director

Center for Chemical Engineering, NBS

The Center is organized to compile and evaluate data on the thermodynamic

and transport properties of fluids and fluid mixtures. These properties

include formulations for the density and other thermodynamic properties of

pure fluids, the viscosity and thermal conductivity of pure fluids, and the

same properties for fluid mixtures. The Center is also involved with the

development of techniques to predict transport properties of pure fluids from

thermodynamic and molecular data, to predict properties of mixtures from the

properties of pure fluids, and to interpolate and extrapolate data for properties over a range of temperature, pressure, and--in the case of mixtures

relative concentrations.

A second volume to "Thermophysical Properties of Fluids" has been prepared.

"Thermophysical Properties of Fluids II" covers the C x - C 4 aliphatic hydrocarbons. As with the first volume the same set of equations is used for the

thermodynamic and transport properties of all of the fluids so that change

from one fluid to another simply involves substitution of a different set of

coefficients. This provides a considerable simplification in the computer

generation of data for these substances. The two volumes combined will cover

11 fluids.

Thermophysical Properties of Fluids I, TRAPP, and a set of thermodynamic

properties for helium are now available in tape form.

New formulations for the thermodynamic properties of CO and H 2 S have been

prepared, the latter with funding from GRI. A custody-transfer equation for

C0 2 is being prepared as is an equation of state for C0 2 in the supercritical

region, both with industrial support.

Technical problems involving prediction of the saturated surface have

slowed the development of formulations for the CH 4 /C 2 H 6 and CH 4 /N 2 mixtures.

FUNDAMENTAL CONSTANTS DATA CENTER

Barry N. Taylor, Director

Center for Basic Standards, NBS

The Center provides a centralized source of information on the fundament-.'

physical constants and on closely related precision measurements. The Center

33
participates in the periodic development of sets of "best" or recommended

values of the fundamental physical constants by means of least-squares adjustments. The self-consistent best values of the constants resulting from an adjustment are required for computational purposes and often are the basis for

other data compilations.

A volume was published on the analysis of fundamental constants entitled,

"Numerical Comparisons of Several Algorithms for Treating Inconsistent Data in

a Least-Squares Adjustment of the Fundamental Constants" (NBSIR 81-2426). The

1983 Least-Squares Adjustment of the Fundamental Constants will be published

in 1984.

ION ENERGETICS DATA CENTER

Sharon G. Lias, Director

Center for Chemical Physics, NBS

The Data Center collects and maintains an up-to-date file of experimental

data on the thermochemistry of ions (ionization potentials, appearance potentials, and equilibrium constants) and the kinetics of ion molecule reactions.

Evaluated compilations of this data are disseminated to the scientific and

technological community.

The evaluation on the heats of formation of gaseous ions and related data

continues. Approximately 2000 species have been covered. This effort has the

cooperation of three additional experts from outside the data center. A

comprehensive compilation and evaluation of gas phase proton affinities has

been completed. A manuscript is in process of being written.

Future activity will concentrate on the completion of the evaluation on ion heats of formation and the submission of a manuscript on proton affinities

for publication. Some attention is also being given to compiling rate constants

for ion-molecule reactions. Finally, continued emphasis will be given to the

automation of data center files and activities.

JANAF THERMOCHEMICAL TABLES

Malcolm W. Chase, Jr., Director

Dow Chemical Company

Midland, Michigan

The JANAF Thermochemical Tables Center covers the thermodynamic properties

for the crystal , liquid, and ideal gas state over a wide temperature range.

Properties covered are heat capacity, entropy, Gibbs energy function, enthalpy,

enthalpy of formation, Gibbs energy of formation, and the logarithm of the

equilibrium constant for formation of each compound from the elements in their

standard reference states.

Published tabulations involve 35 elements and their compounds. The 35

elements are H, Li, Be, B, C, N, 0, F, Na, Mg, A1 , Si, P, S, Cl, K, Ca, Ti, V,

Cr, Fe, Co, Cu, Br, Sr, Zr, Nb, Mo, I, Cs, Ba, Ta, W, Hg, and Pb.

The JANAF Center is one of the five centers involved in the preparation

on the prototype CODATA tables.

34
MOLECULAR SPECTRA DATA CENTER

Frank J. Lovas, Director

Center for Chemical Physics, NBS

The Center provides for the collection, evaluation, and dissemination of

molecular spectral frequencies and other molecular constants. These are designed to aid in the analysis and identification of compounds and to permit

assignment of a wide range of molecular properties. One phase of the Center's

work emphasizes microwave spectra of interstellar molecules.

A manuscript on microwave spectra of S0 2 has been submitted and is

presently being reviewed. A magnetic tape containing the "Spectral Line Atlas

of Interstellar Molecules (SLAIM) has been produced. Documentation of the

tape is almost complete. The Atlas contains the spectral characteristics for

all 55 known interstellar species. Finally, the evaluation of data for

"Microwave Spectral Tables of Hydrogen Species" has been partially completed.

In the coming year the S0 2 paper will be published and the evaluation of

microwave spectra of hydrocarbons will be completed. An infrared calibration

atlas to cover the frequency range 500 to 720 cm

-1 will be prepared using

spectra of OCS, N 2 0 and C0 2.

MOLTEN SALTS DATA CENTER

George J. Janz, Director

Rensselaer Polytechnic Institute

Troy, New York

The Center's goals are to compile, evaluate, and disseminate physical

properties data on selected molten salts.

Selected properties on single and multicomponent molten salt systems have

been published in the Journal of Physical and Chemical Reference Data. A

summary publication combining and updating all salt systems evaluated to date

is in its preliminary stages of preparation. Considerable progress has been

achieved in automating the bibliographic file at the data center. It is now accessible on the main computer at R.P.I. Additionally a magnetic tape on molten salt eutectic mixture data is in its final stages of preparation.

Future efforts will be directed toward completion of the comprehensive

volume on molten salt properties. Some preliminary effort will be given over

to compiling and evaluating various physical properties of highly concentrated

salt solutions. Automation of the data will continue.

NATIONAL CENTER FOR THE THERMODYNAMIC DATA OF MINERALS

John L. Haas, Jr., Director

U.S. Geological Survey

Reston, Virginia

The Center compiles, indexes, and evaluates data on the thermodynamic and

thermophysical properties of minerals, their synthetic analogs, and geologic

materials. These data are important for geocnemical purposes and useful

35
industrially in the fields of metallurgy and the synthesis and production of

inorganic chemicals.

In particular, the Center develops critically evaluated thermodynamic

data for naturally occurring solid phases or their chemical end members.

Properties considered are heat capacity, entropy, enthalpy, Gibbs energy,

enthalpy and Gibbs energy of formation, molar volume, molar compressibility,

and molar expansivity, all as functions of temperature, and phase diagrams of

systems containing mineral phases. The Center cooperates closely with the

Chemical Thermodynamics Data Center and the JANAF Thermochemical Tables

Project.

Some recent activities have centered about properties of geologic structures

suggested as burial sites for high-level nuclear wastes.

PHASE DIAGRAMS FOR CERAMISTS DATA CENTER

L. P. Cook, Director

Center for Materials Science, NBS

The Phase Diagram for Ceramists (PDFC) Data Center has two primary goals:

the regular publication of evaluated phase stability information for inorganic

nonmetallic systems and the development of a computer-searchable “Phase Diagrams

for Ceramists" database.

The PDFC Center has published jointly with the American Ceramic Society

the series " Phase Diagrams for Ceramists." Volume 5 contains 650 diagrams of

molten salts, sulfides, and oxynitride systems; work on this volume was completed and published this year. Evaluation work for Volumes 6 and 7 has

started.

A comprehensive long-range plan for development of the "Phase Diagrams

for Ceramists" database, in collaboration with the American Ceramic Society,

has been developed. The main features of the plan are increased automation

involving all aspects of the project and increased evaluation effort. The

Ceramic Society has set up the "Ad hoc Advisory Committee of the Phase Equilibrium Data Center" to implement this plan and to begin developing increased

industrial support.

The first steps toward the designing and building of a database have been

taken. With OSRD's help, the Center has completed the logical design of its

bibliographic database, and programming will begin shortly. In addition,

prototype graphics software has been developed, and discussions with the Alloy

Phase Diagram Data Center are continuing with respect to mutual problems. As resources allow, the graphics package will be implemented on the OSRD HP 1000

computer.

PHOTON AND CHARGED PARTICLE DATA CENTER

M. J. Berger, Director

Center for Radiation Research, NBS

The Center compiles, evaluates, and disseminates data on the interaction

of ionizing radiation with matter. The data on photons and charged particles

36
include single-scattering cross sections and transport data pertaining to

penetration of radiation through bulk matter.

A report on atomic form factors used in determining photon scattering

cross sections has been published in the Journal of Physical and Chemical

Reference Data. In addition, an evaluated photon cross section data file has

been prepared on magnetic tape. The data cover the energy region from 1 keV

to 100 GeV and all elements from Z=1 to 100. The data include cross sections

for scattering, photoelectric absorption, and pair production as well as attenuation coefficients. The tape is being documented and will be available

next year. The first volume (hydrogen and helium) in a series of photonuclear

reaction data reports has been issued as an NBS internal report.

Future effort will involve the completion and delivery to OSRD of the

magnetic tape, and the initiation of data projects dealing with heavy particle

stopping power and bremsstrahl ung cross sections data covering energies up to

1000 MeV.

RADIATION CHEMISTRY DATA CENTER

Alberta B. Ross, Director

Radiation Laboratory, University of Notre Dame

Notre Dame, Indiana

The Center's purpose is to compile, evaluate, and disseminate rate

parameters and related data on chemical reactions initiated by the interaction

of ionizing and photon radiation with matter. Emphasis is placed on those

reactions occurring in aqueous and liquid media. Support of the Center is

shared by OSRD and the DOE Office of Basic Energy Sciences.

A compilation on triplet-triplet absorption spectra for approximately 600

organic molecules is nearing completion. Triplet yield data are being compiled

and evaluated for future publication. Another project which compiles one- electron reduction potentials of radical species in aqueous solution has been

initiated. Rate constants for 0 2 and H0 2 reactions in aqueous solution are being updated with a view toward a future publication. The Biweekly list of

Papers on Radiation Chemistry and the Cumulative Index, Vol. 16 and Vol. 15

respectively were also published.

In addition, progress on the build-up of an automated numeric data file

is being made. The data will be indexed by CAS registry numbers, molecular

formula and chemical name. Approximately, 14,000 chemical species are entered

in the file. An automated bibliographic file (RCDC bib) is now mounted on the

DOE REC0N system which is run by the Technical Information Center in Oak

Ridge, Tennessee.

Future efforts will be devoted to the publication of the evaluative

efforts mentioned above and the assembly on magnetic tape of approximately

6000 reaction rate constants of transient species in aqueous solution. The

successive volumes of the Biweekly Lists and the Cumulative Index will also be

pub! i shed.

37
THERMODYNAMIC RESEARCH CENTER

K. R. Hall, Director

Texas A&M University

College Station, Texas

The Center provides the chemical process and related industries with

critically evaluated data on a wide variety of thermodynamic and thermophysical

properties of organic compounds. These include thermodynamic properties of

organic materials, condensed-phase properties, transition points and properties,

density and vapor pressure of liquids, and ideal gas and real gas properties.

The Center has continued its work on the thermodynamic properties of

organic substances containing the atoms C, H and 0 in the C x - C 4 range. A

substantial number of major industrial products and intermediates is included

in this group. Entropies and enthalpies for the condensed phases of all

substances in the group for which low-temperature heat-capacity data are available have been gathered and evaluated. A paper is in the publication

process. In another part of the same project, ideal-gas thermal functions

have been prepared for those molecules in the group for which sufficient data

are available. A report is in the review process. Finally, reactions involving

compounds in the group for which calorimetric or equilibrium data are available

are being studied. The intent of the project is to utilize these resources to

obtain a network of thermodynamically consistent data for as many compounds in

this group as possible.

Data on organic substances are being systematically entered into the CIS

systems. The data serve to test the software of the thermo module of the CIS

system which the Center was instrumental in preparing. They also serve to

establish a useable base of data on organic compounds on the CIS system.

The Center has prepared the current section on organic compounds in the

Bulletin of Chemical Thermodynamics. The Bulletin is published annually.

THERMODYNAMIC RESEARCH LABORATORY

Buford D. Smith, Director

Washington University

St. Louis, Missouri

This laboratory compiles and evaluates data on the vapor- liquid equilibrium,

excess enthalpy, and excess volume of binary subcritical fluid mixtures and

data on the vapor pressures, enthalpies of vaporization, saturated-liquid

densities, and virial coefficients of pure fluids which are components of the

mixtures. The laboratory is funded jointly by industry and the Office of

Standard Reference Data (OSRD). It covers a wide range of fluid mixtures, but

its work for OSRD is focused on hydrocarbon-hydrocarbon systems with carbon

numbers C 2- C 8 and mixtures of hydrocarbons with aliphatic alcohols.

A comprehensive review has been made of the C 6

- C 6 systems. The available

data on excess volume, excess enthalpy, PTxy measurements and PTx measurements

have been compiled and evaluated. Papers on the benzene-hexane and benzenecyclohexane systems have been published and papers on other systems are being

prepared. Work is also being done on C 6 and C 7 systems and systems involving

an aliphatic alcohol and a hydrocarbon.

38
The evaluation process has been highly automated and eventually evaluated

data will be made available in automated ' form.

39
PROJECTS (Energy and Environmental)

CRITICAL COMPILATION OF MASS SPECTRAL DATA

Martin G. Robiette

Mass Spectral Data Centre

Nottingham, England

Source of Support: NBS

The project compiles, evaluates, and enters mass spectral data into the

Chemical Information System (CIS). The data are collected from the open

literature and other sources, private and public. Their quality is assessed

through the application of a quality index algorithm. Those data that are considered of high quality are submitted for entry into the CIS and are also

reproduced in hard-copy form through supplements to NSRDS-NBS 63, the NIH-EPA

Mass Spectral Data Base. Approximately 1200-1500 spectra are collected

annual ly.

CRITICAL EVALUATION OF HIGH TEMPERATURE KINETIC DATA

N. Cohen

Aerospace Corporation

Los Angeles, California

Source of Support: DOD and NBS

This project compiles and disseminates evaluated data sheets describing

the high- temperature kinetics of selected chemical reactions found to occur in

rockets and jets.

The data sheet format is now firmly established. A total of 34 data

sheets have been compiled to date. In addition several manuscripts have been

written. Some have been published as internal reports, and the rest have or

will appear in outside journals. One paper was published in the Journal of

Physical and Chemical Reference Data. Future efforts will be devoted to the

production of new data sheets describing the reacting systems: boron-flourine,

hydrogen-organics, oxygen-organics, hydrogen-halogens, nitrogen-flouri ne.

WATER SOLUBILITY AND RELATED PARAMETERS OF COAL DERIVED COMPOUNDS

Sujit Sanerjee

Syracuse Research Corporation

Syracuse, New York

Source of Support: DOE and NSF

Data on the water solubility of polynuclear aromatic and heteroaromatic

compounds derived from coal will be compiled and evaluated. The evaluated

data will be checked against selected theoretical models to establish a relationship between experimental solubility values and those calculated from

chemical structure parameters.

A manuscript has been submitted and reviewed. The paper will be published

in the Journal of Physical and Chemical Reference Data in 1984.

40
A CRITICAL COMPILATION OF THE SOLUBILITY OF OXYGEN, OZONE, AND NITROGEN IN

LIQUIDS

Rubin Battino

Wright State University

Dayton, Ohio

Source of Support: NSF

This project involves the preparation of data sheets giving the solubility

of oxygen, ozone, and nitrogen in liquids, including liquid mixtures, over a range of pressure. These data will be evaluated, and smoothed recommended

values will be produced.

The publication on 0 2 and Ozone was published in the Journal of Physical

and Chemical Reference Data. A manuscript for nitrogen and air in liquids has

been reviewed and will be published in 1984.

SOLUBILITY OF THE SPARINGLY SOLUBLE SALTS OF ZINC, CADMIUM, AND MERCURY IN

WATER AND AQUEOUS SALT SYSTEMS

H. Lawrence Clever

Emory University

Atlanta, Georgia

Source of Support: NSF

A compilation containing evaluated data on the solubility of zinc,

cadmium, and mercury salts in water and aqueous electrolyte solutions will be

prepared. The anions of interest include the halides, sulfides, sulfates,

phosphates, and carbonates at all temperatures and pressures. In addition, an annotated bibliography on all the other anions for which data are available

will be assembled.

To date, a draft on the solubility of mercury salts is in final stages of

completion. The data on the other salts, zinc and cadmium are presently being

evaluated. The mercury manuscript will be published in 1984.

COMPILATION OF SPECTROSCOPIC DATA BELOW 2000 ANGSTROMS

Raymond L. Kelly

Spectroscopic Data Center, Naval Postgraduate School

Monterey, California

Source of Support: NSF

The project has been established to permit the completion of a compilation

of atomic spectral lines with wavelengths below 2000 Angstroms. In the past

year, tables containing the wavelength, intensity, and classification for all

lines observed in solar and terrestrial sources as reported in the literature

have been assembled. Data for 26 elements were revised and updated.

The manuscript and data tables have been submitted on magnetic tape.

Some difficulty has been encountered in producing a final manuscript. However,

these should be overcome in the near future and a manuscript delivered in

early 1984.

41
K SHELL IONIZATION BY HYDROGEN AND HELIUM IONS

Gregory Lapicki

East Carolina University

Greenville, North Carolina

Source of Support: DOE

A comprehensive compilation of x-ray (K shell) production cross sections

of hydrogen and helium ions on the elements helium through uranium will be

assembled. For each target element the cross sections will be listed according

to projectile energy, claimed uncertainties in the results, and target type

(gas, solid, thick or thin, etc.). The experimental cross sections will be

compared with theoretically derived values.

The data have now been collected through July 1983. Two programs have

been written to order the data to a scaled projectile velocity variable to

permit statistical analysis. Completion of the project is now estimated by

September 1984.

CRITICAL EVALUATION OF CHEMICAL KINETIC DATA FOR METASTABLE ELECTRONICALLY

EXCITED SPECIES

K. Schofield

ChemData Corporation

Santa Barbara, California

Source of Support: DOE

A critical evaluation will be performed on the available chemical kinetic

rate data for the gas phase reactions of selected electronically excited

species. In all, 19 species will be reviewed. They include excited states

for NH, 0 2 , CN, C 2 , CH NO, I, and N 2. The data will be presented in a format

similar to a previous publication on the subject and will also indicate where

additional data are required.

Progress continues. A manuscript will be delivered in December 1983.

A CRITICAL COMPILATION OF PROPERTIES DATA ON NONAQUEOUS SOLVENTS IMPORTANT TO

BATTERY DEVELOPMENT

R. P. T. Tomkins

New Jersey Institute of Technology

Newark, New Jersey

Source of Support: DOE

A critical compilation of data on the transport and thermodynamic properties, kinetics, surface and structural aspects, and performance will be

produced. Compounds examined will include those of lithium, calcium, and

sodium in electrolytes such as sodium polysulfides, antimony trichloride,

sulfur dioxide, thionyl chloride, and selected organic solvents. The data

will be recorded both at ambient and high temperatures.

This project has been completed.

42
A final manuscript is being assembled and will be delivered by the end of

1983. Data for all of the lithium systems and a few sodium and calcium

systems will be included.

A CRITICAL REVIEW OF POLYCHLORINATED BIPHENYL PHYSICAL - CHEMICAL DATA OF

ENVIRONMENTAL RELEVANCE

D. Mackay

University of Toronto

Ontario, Canada

Source of Support: DOE

A critical review of the relevant thermodynamic and transport properties

of polychlorinated biphenyls will be done. Nine properties will be assessed

and an attempt to correlate these properties with "chlorine number" will be

made. These relationships will be used to predict property values for those

substances where no experimental values exist. Data for approximately 50

related compounds will be produced and procedures will be established for

further applications. A report will be submitted for publication in 1984.

43
PROJECTS (Industrial Process Data)

DATA ON AQUEOUS ELECTROLYTES

R. Wood

University of Delaware

Newark, Delaware

Source of Support: NSF

This project will be closely coordinated with the work of the Aqueous

Electrolyte Data Center. It will focus on the evaluation, correlation and

prediction of data on the thermodynamic properties of aqueous electrolyte

solutions. Methods for computerized transfers of various data files between

Delaware and NBS will also be investigated.

This project and a previous one have been concerned with methods for the

evaluation and representation of data over a range of temperatures and pressures.

This problem necessarily involves the inclusion of internal equilibria in

sol utions.

Further studies will be made of techniques for computer transfer of data

files between Delaware and the Aqueous Electrolyte Data Center at NBS.

DIPPR DATA PROJECTS

AIChE

New York, New York

Source of Support: NBS, Industry

DIPPR supports a number of data compilation, evaluation, and prediction

projects with cooperative funding from industry and Government. In accordance

with an agreement between NBS and AIChE, the parent organization of DIPPR,

DIPPR and NBS will cooperate in a variety of ways in the production of critically evaluated data for industry.

At the present time, NBS is supporting 3 DIPPR activities: the preparation

of a data prediction manual, preparation of a data book on phase equilibria in

aqueous electrolyte systems, and development of software to provide interactive

computer access to the DIPPR data compilation. The first 5 chapters of the

data prediction manual have been published recently and work is continuing on other chapters. The data compilation has been completed for the first 200 odd

substances and is in the process of publication. Since the compilation is

expected to contain more than 1000 substances in time, there is interest in

the preparation of an interactive automated database as an alternative output.

NBS is supporting the development of this automated database. The data book

on aqueous electrolyte systems will contain necessary computational

techniques, examples illustrating their use in industrial calculations, and

standard reference and annotated reference lists for additional data.

44
EQUILIBRIUM AND TRANSPORT PROPERTIES OF POLYATOMIC GASES AND THEIR MIXTURES

AT LOW DENSITY

J. Kestin, E. A. Mason

Brown University

Providence, Rhode Island

Source of Support: NSF

The investigators have devised techniques to determine the i ntermol ecul ar potentials for simple molecules from thermodynamic data. In a previous

project, these techniques were used to derive definitive data for the thermodynamic and transport properties of the noble gases and their mixtures at low

densities. The results of this work are in press.

Attempts will now be made to apply these techniques to a somewhat more

complex set of fluids: H 2 , N 2 , 0 2 , CO, C0 2 , N 2 0 and CH 4

. The intent is to

provide definitive data on the equilibrium and transport properties of these

gases and their mixtures in the region of low density.

PREPARATION OF POURBAIX DIAGRAMS FOR SELECTED SYSTEMS

Marcel Pourbaix

Belgian Center for Corrosion Study

Brussels, Belgium

Source of Support: DOE

Reports are being prepared on the influence of temperature and pressure

on the chemical and electrochemical equilibria of the systems 0, H, Fe, 0-H,

O-Fe, H-Fe, O-H-Fe, C, 0-C, C-Fe, O-C-Fe. This project is part of a larger

program on chemical equilibria involved in corrosion processes.

Final reports are in preparation on the systems Fe-O-H and Fe-H 2 0. The

systems 0-C, C-Fe and 0-H-C are under investigation and work is starting on the system O-H-C-Fe.

PROPERTIES OF POLAR FLUIDS

L. Haar, J. M. H. Levelt Sengers

Center for Chemical Engineering, NBS

Source of Support: NBS

A formulation for the density and thermodynamic properties of water

prepared under this project had been endorsed by the International Association

for the Properties of Steam as the "Provisional IAPS Formulation 1982 for the

Thermodynamic Properties of Ordinary Water Substance for Scientific and Genera'

Use." The formulation has been carefully tested by national committees in 8

countries. An IAPS Release on the formulation is in preparation and "steam

tables" incorporating the formulation have been written and are in press.

Releases on transport properties incorporating the new release have also been

prepared.

The formulation will not be investigated as a basis for the treatment of

mixtures.

45
THERMOPHYSICAL PROPERTIES DATA FOR FLUIDS

J. V. Sengers

University of Maryland

College Park, Maryland

Source of Support: NSF

This project is concerned with the development of comprehensive formulations

for the thermodynamic and transport properties of fluids. This includes

formulations providing an accurate description of the behavior in the critical

regions.

A comprehensive survey has been made of the properties of water in the

critical region (because of waters' importance the data are unparalleled in

quantity and quality). Comprehensive formulations for the thermodynamic and

transport properties for both ordinary and heavy water in the critical region

have been prepared and are being published. In addition, formulations for the

transport properties of ordinary and heavy water have been prepared for the

International Association for the Properties of Steam based on the recently

endorsed thermodynamic formulations for these substances (see elsewhere in

this report).

The techniques for preparing formulations for the thermodynamic and

transport properties in the critical region which have been developed using the

data for water will be applied to other fluids, in particular, C0 2 which is of

current interest for supercritical extraction.

A further study will also be made of the joining of scaling-law formulations

for the critical region with classical formulations for the remainder of the

PT surface.

46
PROJECTS (Materials Properties)

CATION-NITROGEN DISTANCE IN NITRIDES OF CRYSTALLINE COMPOUNDS

W. H. Baur

University of Illinois - Chicago Circle

Chicago, Illinois

Source of Support: NSF

This project is reviewing and evaluating cation radii for crystalline

nitride compounds. It has been found for many crystalline materials that, for

a given anion, the cation radius remains the same despite differences in bond

types and other structural changes. This has led to useful results, based on

an assumption of the additive nature of these radii. However, the cation

radii do change for different anions. The cation radii for nitride systems

will be reviewed, and an evaluated set of radii will be generated. The

nitride compounds have been chosen because of their significance in ceramic

material s.

CRYSTALLOGRAPHIC DATA FOR ORGANIC MATERIALS

0. Kennard

Cambridge Crystallographic Data Centre

Cambridge, England

Source of Support: NBS

The Cambridge Crystallographic Data Centre has had a continuing collaboration with the NBS Crystal Data Center. The Cambridge Centre supplies two key

sets of information. (1) numerical crystallographic data and references for

organic and organometall ic materials, and (2) actual copies of all published

crystallographic research on organic materials. The Cambridge Centre has

begun to supply the organic entries for the NBS Master Data File in the

appropriate format, a major step forward in creating this important file.

From these entries, selected information will be used to update the NBS

Crystal Data ID File, which is available for on-line use.

During the coming year, emphasis will be placed on completing two new volumes in the series "NBS Crystal Data Determinative Tables" which will

contain data on over 20,000 new organic materials.

FUNDAMENTAL PHYSICAL CONSTANTS

E. R. Cohen

Rockwell International - California

Thousand Oaks, California

Source of Support: NSF

Fundamental Physical Constants are those quantities which provide the

foundation of our understanding of the physical universe. This project has

concerned itself with two important aspects in the analysis of these constants:

the "best" values, which are so important for science and technology, in

general, and discrepancies among the constants, which are important in defining

new measurement needs or improvement in theory or experiment. A part of this

effort is the continuing compilation of data for the 1983 adjustment by a CODATA Task Group.

47
MOLECULAR STRUCTURE AND THERMODYNAMIC PROPERTIES OF ALKALI METAL VAPORS

W. C. Stwalley

University of Iowa

Iowa City, Iowa

Source of Support: NSF

The focus of this project is a compilation of spectroscopic, theoretical,

and thermodynamic results in alkali metal molecules and vapors. The first

stage is concentrated on spectroscopic constants, dissociative energies, and

potential energy curves; the second stage will be a critical review of the

thermodynamic properties of the gaseous alkali metal dimers and alkali metal

hydride molecules.

OSRD BINARY PHASE DIAGRAM EVALUATION PROJECTS

Rare Earth Alloys

K. A. Gschneidner

Iowa State University

Ames, Iowa

Source of Support: DOE

• Copper A1 loys

D. E. Laughlin

Carnegie-Mellon University

Pittsburgh, Pennsylvania

Source of Support: DOE

Vanadium and Niobium Alloys

J. F. Smith

Ames Laboratory of DOE

Iowa State University

Ames, Iowa

Source of Support: DOE

Titanium Alloys

J. Murray

National Bureau of Standards

Source of Support: ONR

Alkali Metals

A. Pelton

Thermfact

Montreal , Canada

Source of Support: DOE

Chromium Alloys

J. P. Neumann

University of Alabama

University, Alabama

Source of Support: DOE 48
These evaluation projects are a major part of the National Bureau of

Standards-American Society of Metals (ASM) joint program to provide reliable

phase stability information to the U.S. materials community. The format of

all projects is the same. For each binary system a recommended phase diagram

will be produced with explanatory text including evaluation of available

experimental, crystallographic, and thermodynamic data. The outputs will be

published first in the Bulletin of Alloy Phase Diagrams and, as larger numbers

of systems are completed, in a series of monographs published by ASM.

The titanium, vanadium, and niobium project are now in their fourth year,

and the rare earth alloys and copper projects are in their third year. The

chromium project has just started. A substantial number of binary systems

evaluations have been completed.

REFERENCE DATA ON THE REFRACTIVE INDEX OF SELECTED OPTICAL MATERIALS

H. H. Li

CINDAS

Purdue University

West Lafayette, Indiana

Source of Support: DOE

This project has produced recommended reference values for the refractive

index of optically important materials, especially those which are serious

candidates for use in high-power laser windows and for solar energy applications.

The materials to be surveyed include cadmium and zinc sulfides, selenides and

tellurides, and certain oxides and halides. All published work on this

subject will be reviewed and the data evaluated. A manuscript on these

compounds is being published in the Journal of Physical and Chemical Reference

Data.

ESCA DATA BASE PROJECT

Charles Wagner

Surfax Company

Oakland, California

Source of Support: NSF

Electron Spectroscopy for Chemical Analysis (ESCA) is a technique that

has proved of wide importance in characterizing the surface composition of

materials. The present project is concerned with creating a database of

critically evaluated line energy data for ESCA. One interesting aspect of

this project is the use of a personal computer in building the database.

CORROSION RATE DATA FOR STAINLESS STEEL

M. Marek

Georgia Institute of Technology

Atlanta, Georgia

Source of Support: NBS

This is a pilot project in the NBS/NACE corrosion data program. The

objective is to compile and evaluate corrosion rate data for austenitic

stainless steels in aqueous chloride solution and to organize the data in

49
suitable formats for presentation and retrieval. An important part of this

effort is to identify the parameters which are important for the evaluation of

corrosion susceptibility of these steels.

THERMODYNAMIC REFERENCE DATA OF ELEMENTS AND BINARY ALLOYS

Pramod D. Desai

CINDAS

Purdue University

West Lafayette, Indiana

Source of Support: NSF

A key component of the NBS/ASM phase diagram evaluation program is the

use of modeling software to ensure thermodynamic consistency. This project

focuses on compiling and evaluating the thermodynamic data for a selected

number of elements and alloys for use by evaluators in the NBS/ASM program.

It will initially concentrate on Fe, A1 and Ti alloys.

STANDARDS FOR COMPUTERIZATION OF MECHANICAL PROPERTY DATA

Jack Westbrook

General Electric

Schenectady, New York

Source of Support: Army

The move towards providing computer access to materials data such as mechanical properties has led to some potential problem caused by the ease with which computers can combine data from different sources. This project is

examining these problems for a few mechanical properties of a small number of

materials. The result will be a set of recommendations for new procedures and

standards which can be the basis of broader activities by U.S. engineering

standards groups and NBS.

50
PUBLICATIONS IN 1983

Journal of Physical and Chemical Reference Data, Volume 12

Thermodynamic Properties of Steam in the Critical Region

J. M. H. Levelt Sengers, B. Kamgar-Parsi , F. W. Balfour,

and J. V. Sengers

Heat Capacity and Other Thermodynamic Properties of Linear

Macromolecules. VII. Other Carbon Backbone Polymers

Umesh Gaur, Brent B. Wunderlich, and Bernhard Wunderlich

Heat Capacity and Other Thermodynamic Properties of Linear

Macromolecules. VIII. Polyesters and Polyamides

Umesh Gaur, Suk-fai Lau, Brent B. Wunderlich,

and Bernhard Wunderlich

Heat Capacity and Other Thermodynamic Properties of Linear

Macromolecules. IX. Final Group of Aromatic and

Inorganic Polymers

Umesh Gaur, Suk-fai Lau, and Bernhard Wunderlich

An Annotated Compilation and Appraisal of Electron Swarm

Data in Electronegative Gases

J. W. Gallagher, E. C. Beaty, J. Dutton, and L. C. Pitchford

The Solubility of Oxygen and Ozone in Liquids

Rubin Battino, Timothy R. Rettich, and Toshihiro Tominaga

Recommended Values for the Thermal Expansivity of Silicon

from 0 to 1000 K

C. A. Swenson

Electrical Resistivity of Ten Selected Binary Alloy Systems

C. Y. Ho, M. W. Ackerman, K. Y. Wu, T. N. Havill,

R. H. Bogaard, R. A. Matula, S. G. Oh, and H. M. James

Energy Levels of Silicon, Si I through Si XIV

W. C. Martin and Romuald Zal ubas

Evaluation of Binary PTxy Vapor- Li quid Equilibrium Data

for C 6 Hydrocarbons. Benzene + Hexane

Buford D. Smith, 01 Muthu, and Ashok Dewan

Evaluation of Binary Excess Enthalpy Data for C 6 Hydrocarbons.

Benzene + Hexane

Buford D. Smith, 01 Muthu, and Ashok Dewan

Evaluation of Binary Excess Volume Data for C 6 Hydrocarbons.

Benzene + Hexane

Buford D. Smith, 01 Muthu, and Ashok Dewan

Erratum: Viscosity of Water Substance - New International

Formulation and Its Background

A. Nagashima

51
Atlas of the High Temperature Water Vapor Spectrum in the

3000 to 4000 cm-1 Region

A. S. Pine, M. J. Coulombe, C. Camy-Peyret, and J-M. Flaud

Small -Angle Rayleigh Scattering of Photons at High Energies:

Tabulations of Relativisitic HFS Modified Atomic Form Factors

D. Schaupp, M. Schumacher, F. Smend, P. Rullhusen,

and J. H. Hubbell

Thermodynamic Properties of D 2 0 in the Critical Region

B. Kamgar-Parsi , J. M. H. Levelt Sengers and J. V. Sengers

Chemical Kinetic Data Sheets for High-Temperature Chemical

Reactions

N. Cohen and K. R. Westberg

Molten Salts: Volume 5, Part 2. Additional Single and

Multi-Component Salt Systems. Electrical Conductance, Density,

Viscosity and Surface Tension Data

G. J. Janz and R. P. T. Tomkins

International Tables of the Surface of Water

N. B. Vargaftik, B. N. Volkov and L. D. Voljak

Evaluated Theoretical Cross Section Data for Charge Exchange of

Multiply Charged Ions with Atoms. I. Hydrogen Atom - Fully

Stripped Ion Systems

J. W. Gallagher, B. H. Bransden, and R. J. Janev

Evaluated Theoretical Cross Section Data for Charge Exchange of

Multiply Charged Ions with Atoms. II. Hydrogen Atom-Partial ly

Stripped Systems

J. W. Gallagher, B. H. Bransden, and R. J. Janev

Recommended Data on the Electron Impact Ionization of

Light Atoms and Ions

K. L. Bell, H. B. Gilbody, J. G. Hughes, A. E. Kingston,

and F. J. Smith

A Correlation of the Viscosity and Thermal Conductivity Data of

Gaseous and Liquid Ethylene

P. M. Holland, B. E. Eaton and H. J. M. Hanley

Transport Properties of Liquid and Gaseous D 2 0 over a Wide Range of

Temperature and Pressure

N. Matsunaga and A. Nagashima

Thermochemical Data for Gaseous Monoxides

J. B. Pedley and E. M. Marshall

Vapor Pressures of Coal Chemicals

J. Chao, C. T. Lin, and T. H. Chung

52
NSRDS-NBS Series

Selected Tables of Atomic Spectra: A. Atomic Energy levels - Second Edition; B. Multiplet Tables; 0 IV

Charlotte E. Moore

NSRD-NBS3(10)

Other Publications in NBS Series

Technical Activities, Office of Standard Reference Data

Sherman P. Fivozinsky

NBS IR83-2661

Electrical Properties of Interfaces - Compilation of Data on the

Electrical Double Layer on Mercury Electrodes

J. Lyklema and R. Parsons

NBS IR83-2714

Data Publications from Other Publishers

Manual for Predicting Chemical Process Design Data

Data Prediction Manual

Design Institute For Physical Property Data,

American Institute of Chemical Engineers,

R. P. Danner, and T. E. Daubert

Bibliographies and Indexes from Other Publishers

Biweekly List of Papers on Radiation Chemistry and Photochemistry,

Vol. 16. 1983

Radiation Chemistry Data Center

Biweekly List of Papers on Radiation Chemistry and Photochemistry,

Annual Cumulation with Keyword and Author Indexes, Vol. 15. 1982

Radiation Chemistry Data Center

Bulletin of Chemical Thermodynamics, Volume 26,1983

IUPAC Commission on Thermodynamics and Thermochemistry,

Robert D. Freeman, Editor

Machine Readable Data Bases

Thermophysical Properties of Helium

Magnetic Tape 5

Magnetic data tape available from the Office of

Standard Reference Data

Interactive Fortran Program to Calculate Thermophysical Properties

of Six Fluids

Magnetic Tape 6

Magnetic data tape available from the Office of

Standard Reference Data

53
PUBLICATIONS SCHEDULED FOR 1984

Journal of Physical and Chemical Reference Data, Volume 13

JANAF Thermochemical Tables, Third Edition

M. W. Chase, Jr. , Editor

Heat Capacities, Entropies and Some Phase Transition Properties of

Organic Compounds in the Liquid and Solid Phases

Eugene S. Domalski, William H. Evans, and Elizabeth D. Hearing

Thermodynamic Properties of Key Organic Oxygen Compounds in the

Carbon Range C x to C 4 ; Part 1. Properties of Condensed Phases

R. C. Wilhoit, J. Chao, and K. R. Hall

Carbon Monoxide Thermophysical Properties from 68 to 1000 K at

Pressures to 100 MPa

Robert D. Goodwin

Refractive Index of ZnS, ZnSe, and ZnTe and Its Wavelength and

Temperature Derivatives

H. H. Li

Differential Cross Sections for Elastic Scattering of Electrons

by Atomic Targets: I. Experimental Data for Helium and Atomic

Hydrogen

J. A. Rees, E. C. Beaty, and J. W. Gallagher

Definition of Recommended Values of Certain Thermodynamic Properties

for the Ketones

Buford D. Smith and 01 Muthu

Water Solubility and Related Parameters of Coal Derived Compounds

Sujit Banerjee

High Temperature Vaporization Behavior of Oxides: I. Alkali Metal

Binary Oxides

R. H. Lamoreaux and D. L. Hildenbrand

Thermodynamic Properties of Aqueous Sodium Chloride Solutions

K. S. Pitzer, J. C. Peiper, and R. H. Busey

Electrical Resistivity of Chromium, Cobalt, Iron, and Nickel

T. K. Chu and C. Y. Ho

Thermodynamic and Transport Properties of the Noble Gases and

Their Mixtures

J. Kestin, E. Knierim, E. Mason, B. Najaf i

,

S. Ro, and M. Waldman

Representative Equations for the Viscosity of Water Substance

J. V. Sengers and B. Kamgar-Parsi

54
Thermophysical Properties of Fluid H2 0

J. Kestin, J. V. Sengers, B. Kamgar-Parsi , and

J. M. H. Levelt Sengers

Electrical Resistivity of Aluminum and Manganese and Electrical

Resistivity of Vanadium and Zirconium

P. D. Desai , H. M. James, and C. Y. Ho

Atlas of the Schumann-Runge Absorption Bands of 02 in the Wavelength

Region 175-205 nm

K. Yoshino, D. E. Freeman, and W. H. Parkinson

Experimental Stark Width and Shifts for Non-Hydrogenic Spectral

Lines of Ionized Atoms (A Critical Review and Tabulation of

Selected Data)

N. Konjevic , M. S. Dimitrijevic and W. L. Wiese

Evaluated Theoretical Cross Section Data for Charge Exchange

of Multiply Charged Ions with Atoms. III. Non-Hydrogenic

Target Atoms

R. K. Janev and J. W. Gallagher

Microwave Spectra of Molecules of Astrophysical Interest.

XXII. Sulfur Dioxide (S0 2 ) F. J. Lovas

NSRDS-NBS Series Publications Scheduled for 1984

Selected Tables of Atomic Spectra: A. Atomic Energy Levels - Second Edition; B. Multiplet Tables; 0 III

Charlotte E. Moore

NSRD-NBS3(11)

Data Publications Scheduled from Other Publishers in 1984

Medical Linear Accelerator Central Axis Depth-Dose Data

James A. Purdy, William B. Harms, and

Sherman P. Fivozinsky

NBS/NRC Steam Tables, Thermodynamic and Transport Properties and

Computer Programs for Vapor and Liquid States of Water

Lester Haar, John S. Gallagher, and George S. Kell

Hemisphere Press

Bibliographies and Indexes Scheduled from Other Publishers in 1984

Biweekly List of Papers on Radiation Chemistry and Photochemistry,

Vol . 17. 1984

Radiation Chemistry Data Center

55
Biweekly List of Papers on Radiation Chemistry and Photochemistry,

Annual Cumulation with Keyword and Author Indexes, Vol. 16.1983

Radiation Chemistry Data Center

Bulletin of Chemical Thermodynamics, Volume 27, 1984

IUPAC Commissi ion on Thermodynamics and Thermochemistry,

Robert D. Freeman, Editor

56
Appendix A

LIST OF ACRONYMS AND ABBREVIATIONS

AAAS

AAPM

ACerS

ACS

ADP

AGARD

AIAA

AIChE

AIME

AIP

API

APS

ASM

ASME

ASTM

BAPD

BRS

BWR

CAC

CAD

CAM

CAPQ

CAS

CBS

CCE

CCP

CINDAS

CIS

CISTI

CMS

CODATA

CPSC

CRR

CSIN

DARPA

DIPPR

DOE

EEO

EPA

EPRI

ESCA

FDA

FY

GPE

GPSDC

GRI

HGK

HP

IAPS

ICPEAC

ICSU

American Association for the Advancement of Science

American Association of Physicists in Medicine (AIP)

American Ceramic Society

American Chemical Society

Automatic data processing

Advisory Group for Aerospace Research and Development

American Institute of Aeronautics and Astronautics

American Institute of Chemical Engineers

American Institute of Mining, Metallurgical, and Petroleum

Engi neers American Institute of Physics

American Petroleum Institute

American Physical Society

American Society for Metals

American Society of Mechanical Engineers

American Society for Testing and Materials

Bulletin of Alloy Phase Diagrams

Bibliographic Retrieval Services, Inc.

Benedict-Webb-Rubi n (formulation)

Center for Analytical Chemistry, NML, NBS

Computer-Aided Design

Computer-Aided Manufacturing

Center for Absolute Physical Quantities, NML, NBS

Chemical Abstracts Science

Center for Basic Standards, NML, NBS

Center for Chemical Engineering, NEL, NBS

Center for Chemical Physics, NML, NBS

Center for Information and Numerical Data Analysis and

Synthesis, Purdue University

Chemical Information System (NIH/EPA)

Canada Institute for Scientific and Technical Information

Center for Materials Science, NML, NBS

Committee on Data for Science and Technology (ICSU)

Consumer Product Safety Commission

Center for Radiation Research, NML, NBS

Chemical Substances Information Network (EPA)

Defense Advanced Research Projects Agency

Design Institute for Physical Property Data (AIChE)

U.S. Department of Energy

Equal Employment Opportunity

U.S. Environmental Protection Agency

Electric Power Research Institute

Electron Spectroscopy for Chemical Analysis

Food and Drug Administration

Fiscal Year

General Purpose Equipment

General Purpose Scientific Document Code

Gas Research Institute

Haar-Gallagher-Kel 1 (formul ati on)

Hew! ett-Packard

International Association for the Properties of Steam

International Conference on Photon and Electron Atomic Collisions

International Council of Scientific Unions

57
INCRA

IUPAC

JANAF

JCAMP

JCPDS

JCPDS-ICDD

JILA

JPCRD

LLL

MPC

MS

MSDC

NACE

NAS

NATO

NBS

NCI

NDE

NEL

NIH

NLM

NML

NRC

NSF

NSRDS

OA

ONR

OSRD

OSRM

PDFC

PL

PMS

RCDC

RPI

SAE

SLAIM

SPE

SRD

SRM

STRS

TRAPP

UNESCO

USGS

International Copper Research Association

International Union of Pure and Applied Chemistry (ICSU)

Joint Army, Navy, Air Force (historical acronym)

Joint Committee on Atomic and Molecular Physical Data

Joint Committee on Powder Diffraction Standards

JCPDS-International Centre for Diffraction Data

Joint Institute for Laboratory Astrophysics, NML, NBS-U. of Col.

Journal of Physical and Chemical Reference Data

Lawrence Livermore National Laboratory

Metals Properties Council

Mass Spectroscopy

Mass Spectral Data Centre (UK)

National Assocation of Corrosion Engineers

National Academy of Sciences

North Atlantic Treaty Organization

National Bureau of Standards

National Cancer Institute

Nondestructive Evaluation

National Engineering Laboratory, NBS

National Institutes of Health

National Library of Medicine

National Measurement Laboratory, NBS

National Research Council

National Science Foundation

National Standard Reference Data System

Other Agency (Funding)

Office of Naval Research

Office of Standard Reference Data, NML, NBS

Office of Standard Reference Materials, NML, NBS

Phase Diagrams for Ceramists Data Center

Public Law

Physical Measurement Services

Radiation Chemistry Data Center

Rensselaer Polytechnic Institute

Society of Automotive Engineers

Spectral Line Atlas of Interstellar Molecules

Society of Plastics Engineers

Standard Reference Data

Standard Reference Material

Scientific and Technical Research and Services (appropriated

NBS funds)

Thermophysical Properties of Hydrocarbon Mixtures Database

United Nations Educational, Scientific, and Cultural Organization

United States Geological Survey

58
Appendi

x

OFFICE OF STANDARD REFERENCE DATA

David R. Lide, Jr., Director

Sherman P. Rvozinsky,

Special Assistant

Alice A. Dugan,

Administrative Officer

Margaret J. Bradley,

Secretary

DATA SYSTEMS

DEVELOPMENT

BettiJoyce B. Molino,

Group Leader

Judith T. Caiabrese

Judy Liu Carta G. Messina

Nathan Seidenman

Constance L Seymour

Lisa L. Weiss

TECHNICAL INFORMATION

Cynthia A. Goldman

Gertrude B. Sherwood

DATA FOR ENERGY

and ENVIRONMENT

Lewis H. Gevantman,

Program Manager

Regina M. Marmo,

Secretary

DATA FOR INDUSTRIAL

PROCESS DESIGN

Howard J. White, Jr., Program Manager

Patricia A. Kurak,

Secretary

MATERIALS PROPERTIES

DATA and AUTOMATION

John R. Rumble. Jr., Program Manager

Jeanne R. Bnde.

Secretary

59
Appendix C

STAFF OF THE OFFICE OF STANDARD REFERENCE DATA

Director - Dr. David R. Lide, Jr.

Secretary, Mrs. Margaret J. Bradley

Telephone: (301 ) 921-2467

Overall management of the program; Editor-in-Chief of NSRDS

publ i cations

Program Manager - Dr. Lewis H. Gevantman

Secretary, Mrs, Regina M, Marmo

Telephone: (301) 921-3442

Energy-related data and data related to environment and health

Program Manager - Dr. Howard J. White, Jr.

Secretary, Mrs. Patricia A. Kurak

Telephone: (301) 921-2581

Thermochemical and thermophysical data related to industrial

process design

Program Manager - Dr. John R. Rumble, Jr.

Secretary, Mrs. Jeanne R. Bride

Telephone: (301) 921-3441

Materials properties data; data base automation

Special Assistant for Technical Liaison - Dr. Sherman P. Fivozinsky

Telephone: (301) 921-2104

General liaison with users; liaison with publishers regarding

promotion of NSRDS output; identification of new areas of

activity; supervisor of Technical Information Group

Technical Information Group

Ms. Cynthia A. Goldman

Telephone: (301) 921-2228

Response to data inquiries from the public; maintenance of

NSRDS collection of main NBS Library and OSRD Reference Center

holdings; distribution of databases; exhibits

Mrs. Gertrude B. Sherwood

Telephone: (301) 921-2228

Development and maintenance of automated bibliographic systems

for NSRDS publications; index development; systems for automated

production of publication lists and specialized bibliographies

60
Publication Operations and Computerized Data Bases

MrSo Betti joyce B. Mol i no Telephone: (301) 921-2050

Monitoring of publication procedures; development of on-line data

storage and retrieval techniques; supervisor of Data Systems

Development Group

Data Systems Development Group

MrSo Judith T. Calabrese

Telephone: (301) 921-2164

Computer typesetting of NSRDS publications via the Bedford Computer

System; software control of the Bedford System and user interface

to that system

Miss Shu-Quei Liu

Telephone: (301) 921-2554

Development of software for automation of bibliographic and data

files in data centers

MrSo Carla G. Messina

Telephone: (301) 921-2554

Development of software for data automation of data center activities

Mr, Nathan L c Seidenman

Telephone: (301) 921-2164

Maintenance and enhancement of OSRD's Hewlett Packard 1000; user interface to HP 1000; programming support

Mrs. Constance L. Seymour

Telephone: (301) 921-2554

Data input and verification; editing of data files; processing of

files received from outside data centers

Miss Lisa Weiss

Telephone: (301) 921-2050

General programming; support, assistance in preparation of interactive programs for sale via magnetic tape

Administrative Officer - Mrs. Alice A. Dugan

Telephone: (301) 921-2468

Fiscal and budgetary matters; contracting; procurement; personne.

61
Appendix D

PUBLICATIONS BY OSRD STAFF

NBS/EPA/NIH Mass Spectral Data Base, Supplement 2, 1983, S. R. Heller,

Go W. A. Milne, and L. H. Gevantman , NSRDS-NBS 63, Suppl , 2

Computerized Materials Data Systems, J. H. Westbrook and J. R, Rumble, Jr ., Editors, A Report of a Workshop (1983)

State-to-State Differential Cross-Sections for Vibrational -Rotational

Excitation and Elastic Scattering of Electrons by No at 5-50 eV:

Calculations Using Extended-Basis-Set Hartree-Fock Wavefunctions,

J. R. Rumble, Jr., D. G. Truhlar, and M. A. Morrison, J. Chem. Phys. 78

(1983)

Status and Trends of Numeric Data Banks and Systems, J. Rumble, Jr ., Proc. 8th CODATA International Conference, Pergamon Press (1983)

Chemical Thermodynamics in Steam Power Cycles Data Requirements,

Howard J. White, Jr . and Otakar Jonas, Editors, Proceedings of a Workshop held at NBS, February 8-9, 1983

62
Appendix E

INVITED TALKS AND PRESENTATIONS BY QSRD STAFF

Introductory Remarks (Chairman), Symposium on Numerical Data Quality,

American Chemical Society Annual Meeting, Washington, DC, August 1983

Lewis H 0 Gevantman

Numerical Data Dissemination: Past, Present, and Future, Chemical

Abstracts Service, Columbus, OH, April 1983

David R. Lide, Jr.

The National Standard Reference Data System of the United States,

European Summer School on Computing Techniques in Physics, Bechyne,

Czechoslovakia, June 1983

David Ro Lide, Jr.

Remarks on the History of CODATA, Conference on CODATA Future, La Gaillarde,

France, June 1983

David R. Lide, Jr,

The CODATA Role in International and Interdiscipl inary Cooperation,

European Summer School on Computing Techniques in Physics, Bechyne,

Czechoslovakia, June 1983

David R„ Lide, Jr.

Overview of Numerical Data Bases, NATO/AGARD Lecture Series on Development

and Use of Numerical and Factual Data Bases, Gaithersburg, Md,; London,

England; and Lisbon, Portugal, October 1983

David R. Lide, Jr.

The State of the Art on Numerical Data Bases, UNESCO Training Course on Accessibility & Dissemination of Data in Science & Technology, Stockholm,

Sweden, October 1983

David Ro Lide, Jr.

New Modes of Reference Data Dissemination, U.S.- Japan Joint Seminar on Thermophysical Properties, Tokyo, Japan, October 1983

David Ro Lide, Jr 0

Validation of Data on Materials Properties, American Society of Mechanical

Engineers Winter Meeting, Boston, Mass,, November 1983

David Ro Lide, Jr.

Introductory Remarks (Chairman), Symposium on Numerical Data Dissemination,

American Chemical Society Annual Meeting, Washington, DC, August 1983

Betti Joyce B. Mol i no

63
"Vibrational -Rotational Excitation of N

? by Electrons at 5-50 eV,"

XIII ICPEAC Meeting, Berlin, FRG, August 1983

John R. Rumble, Jr 0

"Electron Scattering by N

2

: Calculations Using MCSCF Target Wavefunctions,"

XIII ICPEAC Meeting, Berlin, FRG, August 1983

John R 0 Rumble, Jr.

"Numeric Data Bases in Science and Technology," American Chemical Society

Annual Meeting, Washington, DC, August 1983

John R. Rumble, Jr 0

The concept of non-bibl iographic data in different areas with applications

to R&D and practice. C. Physics related areas, CODATA Seminar on NonBib! iographic Data Banks, Stockholm, Sweden, October 1983

John R. Rumble, Jr.

Planning and designing numerical database systems in science and technology,

CODATA Seminar on Non-Bib! iographic Data Banks, Stockholm, Sweden,

October 1983

John R. Rumble, Jr.

IAPS and ASME Research Committee on the Properties of Steam, Workshop

on Thermodynamics in Steam Power Cycles Data Requirements, NBS,

Washington, DC, February 1983

Howard J. White, Jr.

Chemical Thermodynamics in Steam Power Systems - Data Requirements,

44 th International Water Conference , Pi ttsburgh. Pa . . October 24-26 , 1 983

Howard J . Wh i t e , Jr. I with Qtakar Jona s

)

64
Appendix F

TECHNICAL AND PROFESSIONAL COMMITTEE PARTICIPATION AND LEADERSHIP

David R, Lide, Jr .

Council of the American Physical Society (APS)

Audit Committee, APS (Chairman)

Committee on Fellowships, Division of Chemical Physics, APS

1983 Irving Langmuir Prize Committee, APS (Chairman)

American Institute of Physics (AIP) Publication Board

Committee on Nomenclature, ACS

Division of Physical Chemistry, ACS (Alternate Councilor)

Chemical Abstracts Advisory Board, ACS

Section Committee, Chemistry, AAAS

Petroleum Research Fund Advisory Board, ACS

Journal of Physical and Chemical Reference Data (Editor)

Committee on Data for Science and Technology of International Council

of Scientific Unions (Secretary-General j

CODATA Publication Committee (Chairman)

CODATA Bulletin (Associate Editor)

Program Committee for Eighth International CODATA Conference

Joint Committee on Atomic and Molecular Physical Data (JCAMP)

Intardivisional Committee on Nomenclature and Symbols, IUPAC

Commission on Symbols, Terminology, and Units, IUPAC

Physical Chemistry Division, IUPAC (President-Elect)

Chemical Information System (CIS) Steering Committee (Chairman)

NAS/NRC Committee on Atomic and Molecular Science

65
Lewis H 0 Gevantman

IUPAC Commission V.8 on Solubility Data (Secretary)

Executive Committee, Joint Committee on Atomic and Molecular Physical

Data

Subcommittee on the Chemical Substance Information Network (CSIN)

Basic Nuclear Data Committee of the National Nuclear Data Center

(Observer)

Reference Nuclear Data Committee of the National Nuclear Data Center

(Observer)

CIS Management Advisory Board (Chairman)

Interagency Toxic Substance Committee (Observer)

Howard J c White, Jr 0

International Association for the Properties of Steam (Executive

Secretary)

Task Group on Chemical Thermodynamic Tables (CODATA/ICSU) (Chairman)

Subcommittee on Thermodynamic Tables, Commission on Thermodynamics,

International Union of Pure and Applied Chemistry (IUPAC) (Secretary)

Engineering Sciences Data Unit Ltdo (Corresponding Member)

Research Committee on the Properties of Steam, American Society of

Mechanical Engineers (Secretary)

Design Institute for Physical Properties Data (AIChE)

Administrative Committee

Technical Committee (non-voting)

Liaison Committee

Data Compilation Project Advisory Committee

Electrolyte Data Project Advisory Committee

American Petroleum Institute Subcommittee on Technical Data (Advisor)

66
John R. Rumble, Jr.

Organizing Committee, Materials Data Workshop, Fairfield Glade,

Tennessee

Metal Properties Council Task Group on the National Cooperative

Materials Property Data System

Management Board, NBS/JCPDS-International Centre for Diffraction Data,

Cooperative Program

Steering Committee, NACE/NBS Program on Corrosion Data

ASME Task Force on Materials Data for Elevated Temperature Design

and Analysis

Task Group on Computerized Data Handling (CODATA/ICSU)

Sherman P„ Fivozinsky

AAPM Medical' Physics Data Group

Task Group on Accessibility and Dissemination of Data (CODATA/ICSU)

(Secretary

)

ASTM Committee (F4) on Medical and Surgical Materials and Devices

Betti Joyce B. Mol i no

Computer Users Advisory Committee (NBS)

Program Committee for the ACS Chemical Information Division

A1 ice A. Dugan

NML Administrative Council

NML-EEO Women's Personnel Panel, NBS

67
Appendix G

Public Law 90-396

90th Congress, H. R. 6279

July 11, 1968

an act

To provide for the collection, compilation, critical evaluation, publication, and

sale of standard reference data. Be it enacted by the Senate and House of Representatives of the United States of America in Congress assembled, DECLARATION OF POLICY Section 1. The Congress hereby finds and declares that reliable standardized scientific and technical reference data are of vital importance to the progress of the Nation's science and technology. It is therefore the policy of the Congress to make critically evaluate! refer- ence data readily available to scientists, engineers, and the general

public. It is the purpose of this Act to strengthen and enhance this policy. DEFINITIONS

Sec. 2. For the purposes of this Act

(a) The term “standard reference data" means quantitative infor- mation. related to a measurable physical or chemical property of a

substance or system of substances of known composition and structure. which is critically evaluated as to its reliability under section 3 of this Act.

(b) The term “Secretary” means the Secretary of Commerce.

Sec. 3. The Secretary is authorized and directed to provide or ar- range for the collection, compilation, critical evaluation, publication,

and dissemination of standard reference data. In carrying out this program, the Secretary shall, to the maximum extent practicable,

utilize the reference data sendees and facilities of other agencies and

instrumentalities of the Federal Government and of State and local governments, persons, firms, institutions, and associations, with their

consent, and in such a manner as to avoid duplication of those sendees

and facilities. All agencies and instrumentalities of the Federal Government are encouraged to exercise their duties and functions in such manner as will assist in carrying out the purpose of this Act. This

section shall be deemed complementary’ to existing authority, and

nothing herein is intended to repeal, supersede, or diminish existing

authority or responsibility of any agency or instrumentality of the Federal Government.

Sec. 4. To provide for more effective integration and coordination of

standard reference data activities, the Secreturv, in consultation with

other interested Federal agencies, shall prescribe and publish in the

Federal Register such standards, criteria, and procedures for the preparation and publication of standard reference data as may be necessary

to carry out the provisions of this Act.

Sec. 5. Standard reference data conforming to standards established

by the Secretary may be made available and sold by the Secretary or by a person or agency designated by him. To the extent practicable

and appropriate, the prices established for such data may reflect the

cost of collection, compilation, evaluation, publication, and dissemination of the data, including administrative expenses: and the amounts

received shall be subject to the Act of March 3. 1901. as amended (15 .U.S.0. 27l-278e)

.

Sec. 6. (a) Notwithstanding the limitations contained in section

8 of title 17 of the United States Code, the Secretary may secure copyright and renewal thereof on behalf of the United Stares as author

or proprietor in all or any part of any standard reference data which

Standard Reference Data Act.

82 STAT. 339

82 STAT. 340

Collection and publication of standard reference data.

Standards, etc. Publication in Federal Register.

Sale of reference data. Cost recovery.

31 Stat. 1449; Ante , p. 34. U. S. copyright

and renewal

rights.

61 Stat. 655} 76 Stat. 446.

68
Pub. Law 90-396 - 2 - July 11, 1968

82 STAT. 340he prepares or makes available under this Act, and may authorize

the reproduction and publication thereof bv others. (b) The publication or republication by the Government under this Act. either separately or in a public document, of any material in vrhich

copyright is subsisting shall not be taken to cause any abridgment or annulment of the copyright or to authorize any use or appropriation

of such material without the consent of the copyright proprietor.

Appropriation. Sec. 7. There are authorized to be appropriated to carry out this Act. $1.86 million for the fiscal year ending June 30, 1969. Notwithstanding the provisions of any other law, no appropriations for any

fiscal year may be made for the purpose of this Act after fiscal year

1969 unless previously authorized by legislation hereafter enacted by

the Congress.

Short title. Sec. 8. This Act may be cited as the “Standard Reference Data Act.” Approved July 11, 1968.

LEGISLATIVE HISTORY:

HOUSE REPORT

SENATE REPORT CONGRESSIONAL

Vol. 113 Vol. 114

No. 250 (Conm. on Science and Astronautics).

No. 1230 (Comm, on CoEnerse).

RECORD:

(1967): Aug. 14, considered and passed House.

(1968): June 13, considered and passed Senate, amended.

June 27, House concurred in Senate acendnents

.

GPO 98-1 39

65
Appendix H

NSRDS DATA CENTERS

Alloy Phase Diagram Data Center

Dr. Kirit Bhansali

Center for Materials Science

Materials Bldg. - Room B150

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2982

Aqueous Electrolyte Data Center

Dr. David Garvin

Center for Chemical Physics

Chemistry Bldg. - Room A164

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2773

Atomic Collision Cross Section Data Center

Dr. Jean Gallagher

Joint Institute for Laboratory Astrophysics

University of Colorado

Boulder, Colorado 80309

Telephone: (303) 492-7801

FTS 320-3181

Atomic Energy Levels Data Center

Dr. W. C. Martin

Center for Radiation Research

Physics Bldg. - Room A167

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2011

Atomic Transition Probabilities Data Center

Dr. W. L. Wiese

Center for Radiation Research

Physics Bldg. - Room A267

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2071

70
Center for Information and Numerical Data Analysis and Synthesis

(CINDAS)

Dr. C. Y. Ho

Purdue University

CINDAS

2595 Yeager Road

West Lafayette, Indiana 47906

Telephone: (317) 494-6300

Direct inquiries to: Mr. W. H. Shafer

Chemical Kinetics Information Center

Dr. R. F. Hampson, Jr.

Center for Chemical Physics

Chemistry Bldg. - Room A166

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2565

Chemical Thermodynamics Data Center

Dr. David Garvin

Center for Chemical Physics

Chemistry Bldg. - Room A158

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2773

Corrosion Data Center

Dr. Gilbert Ugiansky

Center for Materials Science

Materials Bldg. - Room B266

National Bureau of Standards

Washington, D. C. 20234

Telephone (301) 921-2811

Crystal Data Center

Dr. A. D. Mighell

Center for Materials Science

Materials Bldg. - Room A221

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2950

71
Diffusion in Metals Data Center

Dr. John R. Manning

Center for Materials Science

Materials Bldg. - Room A! 53

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-3354

Fluid Mixtures Data Center

Mr. N. A. Olien

Center for Chemical Engineering

Mail Code 773.00

National Bureau of Standards

Boulder, Colorado 80303

Telephone: (303) 497-3257

FTS 320-3257

Fundamental Constants Data Center

Dr. Barry N. Taylor

Center for Basic Standards

Metrology Bldg. - Room B258

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2701

^Fundamental Particle Data Center

Dr. Thomas Trippe

Lawrence Berkeley Laboratory

University of California

Berkeley, California 94720

Telephone: (415) 486-5885

*High Pressure Data Center

Dr. Leo Merrill

P. 0. Box 7246

University Station

Provo, Utah 84602

Telephone: (401) 224-0389

Ion Kinetics and Energetics Data Center

Dr. Sharon Lias

Center for Chemical Physics

Chemistry Bldg. - Room A139

Washington, D. C. 20234

Telephone: (301) 921-2439

72
Isotopes Project

Dr. Jam's Dairiki

Lawrence Berkeley Laboratory

University of California

Berkeley, California 94720

Telephone: (415) 486-6152

JANAF Thermochemical Tables

Dr. Malcolm W. Chase

Dow Chemical Company

1707 Building

Thermal Research Laboratory

Midland, Michigan 48640

Telephone: (517) 636-4160

Molecular Spectra Data Center

Dr. F. J. Lovas

Center for Chemical Physics

Physics Bldg. - Room B265

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2023

Molten Salts Data Center

Dr. G. J. Janz

Rensselaer Polytechnic Institute

Department of Chemistry

Troy, New York 12181

Telephone: (518) 266-6344

National Center for Thermodynamic Data of Minerals

Dr. John L. Haas, Jr.

U. S. Geological Survey

U. S. Department of the Interior

959 National Center

Reston, Virginia 22092

Telephone: (703) 860-6911

Phase Diagrams for Ceramists Data Center

Dr. Lawrence P. Cook

Center for Materials Science

Materials Bldg. - Room A227

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2844

73
Photon and Charged-Particle Data Center

Dr. Martin J. Berger

Center for Radiation Research

Radiation Physics Bldg. - Room C311

National Bureau of Standards

Washington, D. C. 20234

Telephone: (301) 921-2685

Radiation Chemistry Data Center

Dr. Alberta B. Ross

University of Notre Dame

Radiation Laboratory

Notre Dame, Indiana 46556

Telephone: (219) 239-6527

FTS 333-8220

Thermodynamics Research Center

Dr. Kenneth R. Hall

Thermodynamics Research Center

Texas A & M University

College Station, Texas 77843-3112

Telephone: (713) 845-4971

Thermodynamic Research Laboratory

Dr. Buford Smith

Department of Chemical Engineering

Washington University

St. Louis, Missouri 63130

Telephone: (314) 889-6011

*The Office of Standard Reference Data is not involved at the present

time in the administration or funding of these data centers but

assists in making their outputs and services known to the scientific

communi ty

.

74
U.S.

DEPARTMENT

OF

COMMERCE

National

Bureau

of

Standards

X

a

c

a>a.

CL c

I

75
Appendix J

NA

76
NBS-114A irev. 2-80

BIBLIOGRAPHIC DATA

SHEET (See instructions

)

PUBLICATION OR

REPORT NO.

2. Performing Organ. Report No.

NBSIR 84-2864

3. Publication Date April 1984

4. TITLE AND SUBTITLE

Technical Activities 1983

Office of Standard Reference Data

5. AUTHOR(S)

S„ Po Fivozinsky, 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

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State, ZIP)

10. SUPPLEMENTARY NOTES

_] Document descri-bes a computer program; SF-185, FIPS Software Summary, is attached.

11. ABSTRACT (A 200-word or less factual summary of most si gnifi cant information. If document includes a significant

bi bl iography or literature survey, mention it here)

The Office of Standard Reference Data is one of two program offices in the National

Measurement Laboratory, National Bureau of Standards. The Standard Reference

Data Program develops and disseminates data bases of critically evaluated physical/

chemical properties of substances. These data bases are available through NBS and

private publications, on magnetic tape, and from on-line retrieval systems.

The Office of Standard Reference Data is responsible for management and coordination

of the program. Work is carried out through a decentralized network of data centers

and projects referred to as the National Standard Reference Data System (NSRDS).

This volume sumnarizes the activities of the program for the year 1983,

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate Key wpra-. r y -• data compilation; energy and environmental data; evaluated data; materials data;

standard reference data; technical activities 1983; thermochemical and thermoDhysicai

data

13. AVAILABILITY 14. NO. Dr

i Unlimited

PRINTED PACES

1 | For Official Distribution. Oo Not Release to NTIS

j~~~i Order From Superintendent of Documents, U.S. Government Printing 0‘fice, Washington, D.C.

20402. 15. Price

XT’ Order From National Technical Information Service (NTIS), Springfield, VA. 22161 311 *50

1 1 jICOuvkoC