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STATUS REPORT

National Standard Reference

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April 1966

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U.S. DEPARTMENT OF COMMERCE

National Bureau of Standards
The National Standard Reference Data Series

National vStandard Reference Data System—Plan of Operation, NSRDS-NBS 1. 15 c.-nu Thermal Properties of Aqueous Uni-univalent Electrolytes, NSRDS-NBS 2. 45 cent Selected Tables of Atomic Spectra—Atomic Energy Levels and Multiple! Tables Si TI, Si J II, Si IV, NSRDS-NBS 3, Section 1. 35 cents Atomic Transition Probabilities—Volume I. Hydrogen Through Neon. NSRDS NBS 4,

12.50

The Band Spectrum of Carbon Monoxide, NSRDS-NBS 5, in press .

us - The iibovo publications arc available by purchase from the Superintendent of Duiuui(rn> crnment Printing Office, Washington, D.C., '20402. Orders from foreign countries should include an

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UNITED STATES DEPARTMENT OF COMMERCE • John T. Connor, Secretary

NATIONAL BUREAU OF STANDARDS • A. V. Astin, Director

NBS TECHNICAL NOTE 289

ISSUED JUNE 1, 1966

STATUS REPORT

National Standard Reference Data System

April 1966

Edward L Brady, Editor

Office of Standard Reference Data

National Bureau of Standards

Institute for Basic Standards

Washington, D.C., 20234

NBS Technical Notes are designed to supplement the Bureau's regular publications program. They provide a means for making available scientific data that are of transient or limited interest. Technical Notes may be

listed or referred to in the open literature.

For sale by the Superintendent of Documents, Government Printing Office

Washington, D.C., 20402 - Price 50 cents
National Bureau of Standards NOV 1 4 1968 lblBT5

FOREWORD (J-S /J-3

Ref.

In June 1963, the technical agencies of the Federal Government,

acting through the Federal Council for Science and Technology and the

President's Office of Science and Technology, established the National

Standard Reference Data System. The objective of the NSRDS is to provide compilations of critically evaluated property data to the technical community of the United States, under central coordination to minimize duplication and to assure timely coverage of the nation's needs.

Responsibility for the administration of the system was assigned to the

National Bureau of Standards, which established the Office of Standard

Reference Data for the purpose.

The present report summarizes primarily the status of the activities

of the NBS Office of Standard Reference Data and the data compilation

projects with which it has established a working relationship. Emphasis

is placed on the activities which NBS-OSRD has funded, in order that the

reader may see the way in which NBS has made use of its resources. In

addition, an effort has been made to avoid giving the impression of

claiming credit for activities that NBS-OSRD has had little to do with.

For these reasons, it may seem that some important projects have received

only passing mention in the report. The amount of detail given for any

project should not be taken as an indication of judgment on its importance .

The entire professional staff of the Office of Standard Reference

Data has participated in the writing of this report. Consequently, there are inevitable inconsistencies of style and format.

The staff of OSRD would greatly appreciate receiving any comments

that the readers of the report would care to make. Since the function

of the Office is to provide a service to the technical community, any

views on ways to improve the service are welcome. The response and re- action of potential users is essential if the system is to be effective.

F.dward L. Brady

II
Contents

PAGE

I . General Survey ________________ 1

II. Plans for Information Services __________ 6

III. Nuclear Data Projects- --___-_---__-_ 11

IV. Atomic and Molecular Projects __--_____- 15

V. Solid State 30

VI. Thermodynamic and Transport Properties _____ 36

VII. Chemical Kinetics ________________ 52

VIII. Colloid and Surface Properties _________ 61

IX. Mechanical Properties ______________ 67

Appendices

Appendix A - Advisory Panel Members ________ 69

Appendix B - Property Lists ___________ 71

III
ABSTRACT

This report summarizes the status of the activities of the NBS

Office of Standard. Reference Data as of March, 1966. It provides a

detailed review of the data con^xllation activities within the seven

broad categories within the technical scope of the program:

(1) nuclear data, (2) atomic data and molecular data, (3) solid state

data, (4) themiodynamic and transport data, (5) chemical kinetics,

(6) colloid and surface properties, and (7) mechanical properties.

Plans for an information services program are also outlined. Certain

problem, areas are identified. The appendix includes a listing of

propei^:ies with vMch the program, is concerned and a listing of the

advisory panels of the Office of Standard Reference Data.

EJsy Wbrds: nuclear data, atomic and molecular data, solid state

data; thermodynamic and transport properties, chemical

kinetics, colloid and surface properties, mechanical

properties; information services, standard reference

data

IV
THE NATIONAL STANDARD REFERENCE DATA SYSTEM

STATUS REPORT - October 1965

I. GENERAL SURVEY

A. Origin of National Standard Reference Data System

In June 1963, the Director of the Office of Science and Technology, acting in his capacity as coordinator of the technical activities

of the federal government, promulgated a federal policy establishing

the National Standard Reference Data System, in order to provide on a national basis critically evaluated data in the physical sciences.

According to the statement of the Director of OST, "the intent is to

provide an articulated system of activities under such coordination

and direction as to ensure a ccsnpilation of data meeting quality standards, and also to maintain continuous policy guidance of the system at

the level of the Executive Office." This action was taken upon the

recommendation of the Federal Council for Science and Technology, which

recognized that many government agencies, without coordination or cen- tral guidcince, had been sponsoring activities of the type to be encom- passed within the National Standard Reference Data System. To avoid

duplication and at the same time to assure adequate and timely technical coverage, the Federal Council for Science and Technology decided

that additional measures needed to be taken; the National Standard

Reference Data System was the result.

In view of the National Bureau of Standards' responsibility for

broad leadership of the national measurement system, which includes

not only the standards for making measuranents but also the results

of those measurements which can be considered to be of lasting value,

the Federal Council reccsnmended that the National Bureau of Standards

be given responsibility for administration of the National Standard

Reference Data System. The directive given by the Director of the

Office of Science and Technology calls upon NBS to promote the basic

objective of providing standard reference data to the technical community; to coordinate standard reference data activities of DoD, AEC, NASA,

NSF, COTimerce, Interior, and other government agencies; to operate a national standard reference data center at NBS; to establish standards

of quality for various products of the NSRDS; and to establish standards of methodology and such other functions as are required to en- sure the compatability of all units of the NSRDS.

B. NBS Office of Standard Reference Data

In order to fulfill his responsibilities to the National Standard

Reference Data System, the Director of the National Bureau of Standards

has established an Office of Standard Reference Data (OSRD) within the

NBS Institute for Basic Standards. This office has been assigned coor- dination and contracting responsibility for the conduct of the NBS role

1
in the NSRDS, but this office has no direct operational responsibility

for the data centers, within and outside NBS that constitute the NSRDS.

The present report contains a brief review of the actions taken and

progress made by the Office of Standard Reference Data since its establishment together with brief descriptions of the important systematic,

continuing data compilation projects considered to comprise the major

part of the National Standard Reference Data System.

C. General Plan of Operation

The basic philosophy behind the plan of operation of the National

Standard Reference Data System is that the program is a cooperative

endeavor of the entire technical community of the United States. Its

premise is that preparation of compilations of critically evaluated

property data is of vital interest to nearly every technical man in

the practice of his profession, and the needs and wishes of these men

are to be determining factors in the guidance of the System. All technical agencies of the government have found it necessary to sponsor

data compilation activities of the type appropriate to the NSRDS in

order to fulfill the requirements of their missions; these activities,

by virtue of their very existence, are part of the total complex making

up the National Standard Reference Data System.

In this total complex the National Bureau of Standards has assumed

a special role, in accordance with the directive from the Office of Sci- ence and Technology, but the NBS makes no proprietary claims to ownership

of the NSRDS and endeavors at all times to maintain two-way channels of

communication with persons involved with the development of the program

in all agencies, both governmental and non-governmental.

As stipulated in the OST directive, the technical scope of the

National Standard Reference Data System is physical science. For management purposes within NBS-OSRD, the scope has been divided into seven broad categories: (1) nuclear data, (2) atomic and molecular data,

(3) solid state data, (4) thermodynamics and transport data, (5) chemical

kinetics, (6) colloid and surface properties, and (7) mechanical properties. In each of these categories an effort has been made to identify

properties of interest, survey existing activities, establish priorities

for expansion of existing projects and for initiation of new ones, and

to enter into contractual or other financial arrangements with individuals or groups who are both competent and interested in doing the re- quired work. In all of these tasks, the NBS-OSRD has relied heavily

upon consultation with panels of specialists in the fields of data.

Some of these panels are comprised of existing or slightly modified

committees of the National Academy of Sciences, while others have been

specially assembled for the special needs of the OSRD program. The mem- berships of these panels are listed in Appendix A. Of great aid in the

development of the program has been the Office of Critical Tables of the

National Academy of Sciences -National Research Council which has proved to

be a mine of infomiation about existing data compilation activities in all

parts of the world and has greatly assisted the NBS Office of Standard Ref- erence Data in communicating with the technical community.

In addition to developing a comprehensive set of data compilation

activities covering the desired scope of physical science, the NBS

Office of Standard Reference Data has the responsibility for ensuring
that all products of the National Standard Reference Data System

are made conveniently accessible to data users in the technical

community. This requires OSRD to develop mechanisms for letting

the users know what is available, for publication and distribution

of the products (if not otherwise disseminated) , and for providing

special user services employing the resources of the central collection of compilations in OSRD.

Upon the recommendation of the advisory panels, the NBS-OSRD

has concentrated its efforts and financial resources on filling gaps

in coverage and expanding the level of effort in existing projects,

leaving for future emphasis the development of the contemplated information services. In initiating new data compilation projects, the

OSRD has attempted in all cases to establish these as an adjunct of

the program of an active experimental group in the field of the data,

in accordance with the recommendation on such activities made by the

"Weinberg Report." In general, the OSRD takes every opportunity to

promote the view that data evaluation and compilation are a normal

aspect of a professional career and should be accorded the same respect, dignity, and pay as other scientific professional activities.

D. Overview of Status of OSRD Activities

Within the philosophy and general plan of operation just previously

outlined, significant progress has been made in coordinating and extending existing coverage in the technical categories, especially in the areas of thermodynamics and transport properties and in atomic and

molecular properties. These two categories have been judged to be of

highest priority for additional effort. In the field of nuclear data,

existing activities sponsored by the U.S. Atomic Energy Commission provide nearly adequate coverage of the technical scope required, although the

level of effort needs to be increased to meet the rapid rate of appearance

of new data. In the category of solid state properties, existing projects

provide good coverage of the more classical areas, such as structural

data, but greatly increased effort on the newer kinds of data (energy

levels, band structure, interaction with radiations) has been recommen- ded by the advisory panel. In the category of chemical kinetics, the

advisory panel agreed that it was not convinced that any data in the

literature were worthy of a systematic evaluation and compilation effort, and therefore, the first stage of the OSRD program should be the

preparation of a series of critical reviews of the state of quantitative

knowledge in certain selected aspects of the field. In the field of

colloid and surface properties, the OSRD has established a cooperative

relationship with the NAS-NRC Committee on Colloid and Surface Chemistry,

which had been planning an extensive program of data evaluation prior to

the establishment of the NSRDS. In the field of mechanical properties,

there has been a preliminary critical survey by a group of NBS staff

members. Its objectives are to assess whether there exists any significant body of data in this field satisfying the basic requirements of

"Standard Reference Data": (1) that the material be well defined in com- position and structure and (2) that the measured value be representative
of an intrinsic property of the material and not the result of an interaction between the measuring system and the material (as for example, hardness or breaking strength). The conclusion of this preliminary survey was that there probably are very few data entirely appropriate and therefore little effort has been expended on this category.

However, this conclusion is regarded as tentative and is to be re -ex- amined by a panel of specialists gathered from the academic, industrial,

£ind governmental segments of the technical community.

The information services, as presently planned, consist of four

main components: (1) a data file, with a complete collection of evaluated data compilations, indexed and stored for rapid retrieval,

(2) an inquiry service to provide replies to questions relating to

property data and to prepare a current awareness service, (3) a compilation production service, to provide assistance in planning the

information and data flow from the original source in the literature

through the evaluation process at a data center and on to the user, and (4)

an analysis and user relations service for providing intelligence and

feedback on the systems' users needs.

The data compilation projects in the various categories and the

information services operation are described in more detail in the following sections of this report.

E. Problems

1. Quality Standards

The directive from OST calls upon NBS to take the lead in

establishing standards of quality for the products of the NSRDS.

Considerable thought has been given to this matter without, as yet,

having produced a practical solution.

In general, basic criteria on which everyone agrees are that

the data shall be evaluated by a specialist of mature judgment in

the field of the data and that all publications shall have adequate

documentation on the sources of the data so that the user may, if

he wishes, carry out his own evaluation.

From this point on, however, opinions diverge. For example,

what does "critical evaluation" mean? In past practice in some data centers, it means that the experimental technique has been

reviewed, calculations have been at least spot-checked, values of

the fundamental constants checked to be sure latest values were

used, temperature scale checked, if appropriate, and limits of

experimental uncertainty independently assessed. In other centers,

the data evaluator has decided, for intangible reasons which he has

difficulty formulating, that one particular value in the literature

was "better" than another value. (Such a judgment by a specialist

of broad experience should not be under-rated; the value obtained

is much more likely to be accurate than the value obtained by un- weighted averaging.) Most people agree that the first procedure

provides a better "critical evaluation" than the second. However,

for many practical purposes such review is not justified and the

second procedure, or an intermediate one, is employed.

I
The question immediately arises, then, as to what degree ot

critical evaluation is required in order that a compilation should

be considered "Standard Reference Data." This question is still

unresolved, though in a few cases efforts are being made to devise

sets of standards for experimental conditions in order for the re- sults to be considered for inclusion in a compilation of standard

reference data.

A related question arises from the observation that two equallycompetent specialists considering the same set of data may produce

different evaluated results. There will be so many such instances

that it will not be practical to insist that the persons involved

get together and agree on a value, nor would the benefit of reaching agreement justify the cost in time and money. Should one of

the values be chosen as the "reference," should both, or neither?

At the present time, the staff of the Office of Standard Reference

Data favors indicating both sets of data as "SRD" but further con- sultation and discussion is required before the matter is resolved.

2. Communications With Data Users

Surveys made by many groups, as well as by the NBS Office of

Standard Reference Data, show clearly that the great majority of

technical men is quite ignorant of the information and data re- sources available. It is essential for the NBS-OSRD and the various components of the NSRDS to establish effective, continuing

COTimunication with the users and potential users of the products

of the system. The experience of existing data centers indicates

that normally several years are required to establish reasonably

good communication, and, even with well known centers, there is no way to determine how many potential users are unaware of the

existence of the center and its products. The Office of Standard

Reference Data is seeking ways of rapidly improving the two-way

flow of information between itself and the menbers of the technical community.

3. Communication and Work-Sharing Among Related Data Centers

Some data centers now in existence produce results used by

other centers as input data in their computations or as a means of checking consistency of their data. In other cases, data cen- ters may cover much of the same literature in their search for

relevant data in their own areas of competence. In the interest

of econcmy and efficiency it is, of course, highly desirable for

the groups involved to maintain frequent contact with each other

and to the maximum extent, share the tasks common to each. The

staff of the Office of Standard Reference Data works with the re- sponsible operating officers in such cases to develop more efficient working arrangements, but much remains to be done.
6

II. PLANS FOR INFORMATION SERVICES

During the past year we liave spent considerable effort on developing

plans for the handling of information in the National Standard Reference Data

System. These plans are concerned with the information with which the System

deals; with the logical organization of this information, its acquisition and

physical storage; with methods of locating desired information items in storage; and with retrieving and displaying or communicating them. The present

section summarizes the major conclusions which have been reached in this effort.

It is expected that the information system of NSRDS will undergo evolutionary changes for a number of years. Many of these cannot be clearly foreseen as yet. Despite this uncertainty, two basic policy decisions have been adopted:

1. Ultimately, the NSRDS information system will involve the use of large electronic digital computers in a crucial way (though

not necessarily to the complete exclusion of manual methods)

2. For the present, the system will operate only with conventional

and, in the main, manually operated files.

We visualize the transition from System 2 to System 1 as taking place

gradually rather than all at once. We plan to avoid the introduction of intermediate systems not compatible with the final large scale system. We base our planning on the assumption that the bulk of such a system can be implemented in

3 to 5 years. We do not anticipate that mechanization will ever be carried to

the extreme of complete exclusion of all human functions. Rather, we envisage

a system of man-machine cooperation.

The Office of Standard Reference Data operates an information service at

NBS. This information Services Operation (ISO) is expected to consist of four

units, concerned with (1) compilation-production services, (2) inquiry services,

(3) the data file operation and analysis, which supports the other two units,

and (4) analysis and user relations services.

A. Compilation-Production Services

Compilation-production services include the dissemination of information,

either periodically or occasionally, on our own initiative. Some of this is

now being done by technical data centers, and will continue to be handled by

them, with or without assistance from OSRD. ISO will not duplicate any of these

efforts but will attempt to supplement them by publications covering the field of

reference data in general, or cutting across the lines of several data centers,

or falling between them.

The activities of the compilation production unit will be concerned with

periodical and aperiodical publications.

A periodical news or current awareness service, concerned with events in

the field of data on properties of materials, is contemplated. New data compilations which have been published, projects undertaken or completed, contracts

awarded, new mechanization techniques, etc. would be listed.

Among aperiodic publicational activities, there is first of all the

"National Standard Reference Data Series" of the National Bureau of Standards

published by the Government Printing Office, of which several numbers have al-
ready appeared. The series will contain tables of data compiled and

evaluated under the auspices of OSRD and related material. It is intended

to supplement, rather than supplant, the publication activities of technical data centers and other interested organizations. Thus the NSRD Series

will have for primary subjects those compilations produced at NBS, or by

organizations which for some reason or other cannot undertake publications,

or those for which there is no appropriate technical data center, as well

as state-of-art reports, lists of compilations considered to be standard

reference data, reports on classification, indexing, mechanization, and

other topics of interest to data compilers, evaluators, and users in general.

In addition to publishing the NSRD Series, OSRD will produce data in

loose-leaf form, machine readable media such as tapes or punched cards, or

other formats which prove to be widely useful.

The nature of much of the material to be published by NSRDS is such that

it is likely to benefit from recent developments in computer -control led typesetting. One reason for this is that much of the material in tables of physical data originates as computer output, and is therefore easy to record on machine readable media. Another reason is the facility for rearranging, updating or otherwise revising the material. An example is the volume "Crystal

Data Tables" now being prepared for publication by photocomposition. The

original information is being keypunched in essentially the same format in

which it is to appear in print, and this part of the operation offers no great advantage over manual typesetting. But from the keypunched information

it will be possible to produce alphabetical indexes for authors, names and

formulas of chemical compounds, all by automatic sorting, checking and editing.

In subsequent editions, only the new or revised material will have to be newly

keypunched, the computer will insert it in the proper place, change pagination

as needed, update the indexes.

There are several steps which OSRD has taken or plans to take in the near

future in order to assist in the transition to mechanized publication. The

first of these is the acquisition of a Mergenthaler linofilm keyboard, which

produces the 15-hole punched paper tape needed to drive the linofilm composition machine. One of the advantages of having this device at NBS is that keypunching can now be done under the direct supervision of the scientists responsible for the preparation of a manuscript. Another step in the same direction

is the procurement of a modified tape typewriter (Smith-Corona-Marchant)

which will accept a number of special character inserts (similar to the commfercially available "Typits") and at the same time produce a punched paper tape.

Because of its lower cost, this tape typewriter is preferred for material of

simple typography. Finally, an IBM Document Writer has been acquired by one of the data centers located at NBS and is being used with great success for

material of intermediate typographical quality.

These recording methods can be aided by performing some editing functions on a computer. Several computer codes for such purposes have been written; so far, each of these codes was tailored to one particular publication. One of

the efforts in which OSRD expects to engage in the near future is the production

of more generally applicable computer codes for publication editing.
B. Inquiry Services

Inquiry services may result in four kinds of action taken in response

to requests for information: (1) Referral (2) Reference (3) Documentation

(4) Data Information. Referral means that the question is referred to another

organization or individuals. By reference is meant a listing of relevant literature. Documentation goes one step further and includes furnishing of microstored or hard copies of the referenced literature. Data Information implies

furnishing not only a listing of the requested data, but also any necessary

explanation, caution, etc.

Circumstances suggest strongly that inquiry- answering services to

scientists and engineers should begin at once, without delay. Not only should

the benefits accruing to the technical community from the availability of such

services not be postponed by several years pending the creation of data files

and systems, but the creation of tlie systems will itself be aided by the ex- perience which OSRD will acquire in the process of rendering services.

It follows that, in many fields, requests for data will have to be

answered before standard reference data have been so designated. In such cases,

ratlier than merely indicating to the inquirer that no SRD are as yet available,

it will be preferable to give him whatever information can be found in the

literature or through personal inquiries. A suitable disclaimer will be

appended to such replies, cautioning the user that the information has not been

evaluated by NSRDS.

In the early years, while NSRDS is still developing, a large portion of

technical inquiries received is likely to be referred to experts. Furthermore,

until OSRD has accumulated some experience it isrill be \vell to have all technical

answers, even those routinely prepared by OSRD from its o^vm files, checked by

a specialist. The experts to whom questions are referred can be taken from the

folloaving groups: (1) technical area managers of OSRD (2) data centers which

adhere to OSRD (3) divisions at NBS outside the OSRD, and (4) other scientists.

ISO should furnish references to the literature and/or copies of pertinent

documents only if this can be done without undue effort.

As time goes on and mechanization of the system progresses, an increasing

number of inquiries will be answered by reference to the computer- stored data

file.

C. Data File

The data file unit, the only one activated so far, has been engaged in

organizing its activity. One of its first tasks is to acquire some information

on the need for its services and tlie tools available for rendering them.

A major bibliographic survey of existing conpilations of quantitative data

on physical and chemical properties of materials is being undertaken. It is

expected that this survey will cover all existing compilations of data, whether

published in the open literature or in report form; as far as possible it will

also include unpublished manuscript compilations. The survey idll not have to

start entirely from scratch. The Office of Critical Tables of the NAS-NRC has

collected a list of some of the best known data compilations, and is continuing

this work on a small scale. OSRD has on its own assembled a modest collection
of compilations. Ihese two collections could be used as starting points.

Ihere also exist surveys in some specialized fields; for instance, the

Nuclear Data Project at Oak Ridge has made a survey of compilations of nuclear

data; it is not yet complete, but the work is being continued.

The most inportant preparation for the operation of ISO is the organization of information. OSRD has sponsored t\-K) pilot studies of classification.

One of these proceeded empirically in line with modem trends in documentation;

the other took a fundamental approach of basing the classification on the

underlying properties of matter. Both are long-range efforts. For iirmediate use OSED has designed a system of classifying physical properties of materials,

following the lines of conventional hierarchical classification. It consists

of a few hundred classes, vMch have proved to be anqDly adequate for classifying the present library of ISO and will undoubtedly be adequate for any foreseeable expansion of it.

D. -Analysis and User Relations

A data system's reason for existence is the use to vAiich it is put. Therefore, the user is the most ingxDrtant element in the data cycle chain. The

analysis and user relations unit has the task of understanding the requirements

both present and future of the NSRDS' actual and potential users; the unit has

the responsibility for providing the Services with information on how best to

meet these needs. This activity will have another important task - developing

feedback itBchanisms to evaluate the services provided.

E. Long Range Mechanization Problems

Up to this point we have dealt with the short range problem of operating

an information system based on conventional files and library collections. We

now turn to the longer range problem of mechanization.

It is probably that OSRD will use the general purpose, large computer of

NBS. Provision will have to be made for certain peculiarities of the OSED

operation.

(1) The amount of data to be stored for OSRD is so great that it is

iiT5>ractical to keep them on cards or tape and read them into the coitqDuter for

each run anew. In this respect OSM) is, and probably will remain, unique among

NBS conputer users. It will be necessary to acquire a separate storage conqx)nent,

vdiich would be purchased or rented by OSRD and reserved for its exclusive use,

and which would be connected to the cortqxiter main frame. Suitable storage

devices are now available from several manufacturers.

(2) It will be desirable to have facilities for remote on-line access to

the central computer. A console should be located in the OSRD offices from

vAiich a user can contact the central coitqDuter, wait for the end of the current

problem (or in the case of a long problem, interrupt it), read into the computer

a small amount of instructions and data, have the instructions executed and

immediately see a small volume of results. Large-volume output would remain

on tape in the con^juter room and be available to the user there.
10

(3) At a later time it may also be desirable to use similar remote stations

in distant cities. One of the tasks ^^*lich the system will have to face is to

supply information to users anywhere in the country. Althou^ mail or telephone

can be used for this purpose, a great deal more could be accon^jlished if users could be given direct access to the coiT5)uter file. There are in principle two

ways in which this can be done. One can enable laboratories throughout the

country to obtain on-line connection, via long-distance telephone lines, to the

central computer and information store at OSRD; or one can duplicate this store

in numerous geographically dispersed computing facilities. There is no point in

drawing up a precise balance sheet of costs at this time, since the information

file does not yet exist, will take several years to compile, and some cost items

may change radically in the meantime. In any case, we envisage the establishment

of a nationwide network, either of secondary centers or of telephone access to

the primary center, as something to be done only after the primary center itself

has been in operation for a^Mle.

Experiments in remote on-line operation have been carried out successfully.

Ihis mode of operation involving man-machine interaction is expected to be of

in^Dortance in cases where a question is at first not precisely formulated, and

is successively sharpened on the basis of replies from the computer. Past experi- ence of libraries and other information centers indicates that this is a typical

and frequent situation.
11

III. NUCLEAR DATA PROJECTS

In the field of Nuclear Science, corpilation activities have been undertaken almost from the beginning of large scale efforts dating back twenty- five

years. A single cognizant governmental agency, the Atomic Energy Commission,

has existed in this area, and has sponsored appropriate conpilations. It is

peiiiaps, for this reason, that data compilation coverage is more conplete

probably than in most other physical science fields. Recently Academic Press

has undertaken the publication of a Journal of Nuclear Data, which will con- centrate entirely on the publication of compilations of data in the nuclear

field. This journal is edited by Dr. Katherine Way of ORNL.

Below is a brief survey of nuclear data compilation activities presently

being undertaken. There is no special significance to the order of the listing.

The list comprises compilation centers or small groups where a form of continuous coTTpilation activity is being undertaken. In addition to the centers

listed here there are a large number of individual compilations which are being undertaken to serve a specific need or purpose.

I. Compilations in the United States

A. Nuclear Data Group at Oak Ridge National Laboratory headed by Katherine

Way, Tlie main product of this group is the familiar nuclear data sheets. The

nuclear sheets contain all tlie information known about nuclei from A=21 through

A=212, In the future the product will appear in the Journal of Nuclear Data.

B. Charged Particle Cross Sections . Tliis center is also located at Oak

Ridge National Laboratory and is headed by Francis McGowan. The title is selfexplanatory of the work of this groiq). Cross sections for various medium

weight nuclei have been published. The remainder of the nuclei will be published in the nuclear data journal previously mentioned.

C. Sigma Center . This center is responsible for neutron cross sections

for all energies and covering all nuclei. The group is headed by fturray Goldberg and its product is the familiar Bam Books BNL-32S and RNL-400.

D. The Neutron Cross Section Center at Lawrence Radiation Laboratory at

Livermore, headed by Robert J. llowerton. The product ot tJiis group is cros s

section data similar to that of the Sigma Center.

E. The Reactor Physics Constants Center at Argonne National Laboratory , headed by Robert Avery. This center supplies values ot those physical quantities

which are of direct need in reactor physics calculations. The product has tiiken

the form of two editions of a collection of reviews entitled Reactor Physics

(ANL-5800) and an assortment of news letters.
12

F. Table of Isotopes. This is a continuation of a series started at

the Lawrence Radiation Laboratory at Berkeley with J. M. Hollander, I. Perlman,

and G. T. Seahorg as prime contributors to previous editions, which were published as issues of Reviews of Modem Physics. The sixth edition is under

preparation now. The information contained here is similar to that available i in the nuclear data sheets, but on a somehwat abbreviated scale. f

G. Energy Levels of Light Nuclei. A new edition is now being prepared

by F.Ajzenberg-Selove, and T. Laurit'seh. This effort performs the same task

of compilation for nuclei with atomic weights ( 20) that the nuclear data

sheets do for heavier nuclei.

H. Chart of the Nuclides. This is the familiar wall chart of the radioactive properties of the nuclides which for the past several years has been

published at Knolls Atomic Power Laboratory of the General Electric Company

under the authorship of D. T. Goldman.

I. Photo Nuclear Canpilation Center at the National Bureau of Standards,

headed by Everett Fuller. This effort will provide bibliographic information

and cross section results for gamma rays incident upon all nuclei. The Center

is supported by OSRD and details of its operation are provided in the last

section of this report.

II. Compilation Centers in Europe and Asia

A. The European Neutron and Data Compilation Center at Saclay, France.

This is a data ccwnpilation center being set up to maintain up-to-date indices

of bibliographic references to all neutron experiments and will presumably

perform the same function in Europe that the Brookhaven Center performs in the

United States. In addition, data evaluation will be undertaken.

B. The Central Bureau of Nuclear Measurements at Geel, Belgium, has

sponsored the compilation of certain neutron reactions such as np, n , and

n, 2n. A report has been published by H. Lisskien and A, Paulsen, with this

compilation. In addition, other compilations will be undertaken.

C. A similar sort of operation to that described above is performed in

Sweden under the sponsorship of A. B. Atomenergi and the Research Institute of

National Defense. Reports such as Cross Sections for Neutron Inelastic

Scattering and n7 2n Processes , A Review of Available Experimental and Theoretical

Data , by M. Leimdorfer, et al, and the Optical Model of the Nucleus, an Index and

Abstracted Literature Review, by L. Wallin, et al, have been published.

D. The Atomic Weapons Research Establishment at Aldermaston, England , has a neutron data evaluation group headed by K. Parker. A large library of

evaluated neutron cross sections is available on punched cards or magnetic tape.

The computerization of this library has been undertaken, with joint association

between the Aldermaston group and groups at Livermore and Los Alamos in this

country.

E. Karlsruhe, West Germany . A report, Neutron Cross Sections for Fast

Reactor Materials , which is very similar for the elements covered to the Bam

Book published by Brookhaven, has been published and is available in report form.

These neutron cross sections were compiled by J. J. Schmidt.
13

F. The Japanese Nuclear Data Committee . This committee was set up

under Teruo Momota to compile and evaluate nuclear data of interest to reactor

physics and technology. As of yet, no product or report from this committee

has appeared.

G. Utrecht, Netherlands . Professor P. Endt and associates for several

years have been compiling and publishing infoimation on the energy levels of

light nuclei for Z=ll to Z=20. This work includes the same information as the

compilation listed in 2C above, but for somewhat heavier nuclei.

H. Mainz -Amsterdam . J. Mattauch of the Max Planck Institute for Chemistry

in Mainz and A. Wapstra of Amsterdam have, for several years, issued a list of

atomic masses prepared by a detailed evaluation of the available experimental

data for a variety of nuclear reactions in addition to direct mass spectrometric

measurements. In addition. Dr. Wapstra has prepared energy levels of very

heavy nuclei, that is, for nuclei heavier than those presently treated in the

nuclear data sheets.

I. International Atomic Energy Agency . Some effort is being undertaken

by this agency to organize a world-wide cooperative nuclear data exchange with

emphasis on neutron cross-section data.

**1efti(*tieie*it

The Advisory Panel meeting on October 8, 1965, was provided with a summary and listing of data compilation centers in this country and throughout

the world. The general conclusion of the Advisory Panel was that though the

scope of effort being undertaken in nuclear data compilations was satisfactory,

with certain exceptions, the intensity of effort should be increased considerable.

The Advisory Panel arrived at several working conclusions:

1. Present compilations cover, in principle, the general field of

nuclear data. Exceptions, however, to this statement are in the categories of

elementary particle compilation, including very high energy (GEV particle interactions); medium energy interactions (20 MEV-1000 MEV) , an energy region in

which the advent of higher current particle accelerators will provide a great

deal more data; nuclear data of direct application to reactor technology, such

as transport properties of media without reference to a particular reactor

configuration; and primary cosmic radiations.

2. The number of data compilation centers, accordingly, could be

increased.

3. The transmission of the most up-to-date information available to

interested scientists must be improved.
14

4. Efforts at increasing the staffs of presently operating data

centers should be encouraged.

5. The OSRD could offer a major contribution to nuclear data centers

by helping them in the development of techniques for the automatic (computer)

storage and retrieval of compiled data.

The Office of Standard Reference Data plans to formulate a program

based on the conclusions and recommendations of the Advisory Panel.

Within NBS, the only active nuclear data compilation now going on is that

within the Radiation Physics Division, under the direction of Everett Fuller,

to compile data on photonuclear interactions. A description of its activity

follows.

Title of Project : Compilation and Evaluation of Photonuclear Data

Principal Investigator : E. G. Fuller, Photonuclear Physics Section,

Radiation Physics Division, NBS

Technical Scope and Plan of Operation : The first objective of the project

is to review the literature on photonuclear reactions. Experimental results are abstracted and analyzed to evaluate the accuracy and limitations of the results.

The second objective is to produce a quantitative bibliography of the literature

searched. This bibliography will contain several pieces of information which

define the scope of the experiment (e.g., type of reaction, method used, energy

range covered). The third objective is to perform a critical evaluation of the

photonuclear data in order to produce and publish a set of "best values" for

photonuclear cross sections and related quantities.

Current Status : The program is operational.

Products to be Issued : The photonuclear data file has been completed up

to the end of 1964 and contains about 1500 data sheets. Reprints have been

collected for over three-fourths of the original papers. An index to this data

has been coded on I'M cards in such a way that computer techniques can be used

to produce and maintain a complete cross-referenced bibliography for the data

in the con^ilation. This data index will be published in fiscal year 1966.

Future Plans : The 1965 photonuclear literature will be added to the data

file and to the data index. An updated version of the data index will be published toward the end of fiscal year 1966.

The compilation part of the project having been completed, critical evaluation of the data will begin during FY66. This will involve for each nucleus

a detailed comparison of all measurements of a given photonuclear reaction.

Inverse reaction cross sections will be converted by detailed balance calculations. A close look will be taken at quoted systematic errors and factors

influencing their reliability. Relative measurements (e.g., angular distributions) will be normalized with the best available information. It shall be

pointed out where apparently equal accuracy data conflict and what new measure- ments are most needed. The evaluated data will be presented in tabular and

graphical form in a manner to facilitate comparison with theoretical calculations,

Systematic trends of photonuclear properties as a function of atomic number and

mass number will be sought.
IS

IV. ATOftlC and MOLEaJLAR PROPERTIES

Tliis progran area covers a wide variety of specific subjects, all of

which are functions primarily of individual atoms or molecules, rather than of

some specific state of aggregation. Needs for standard reference data fall

generally into two categories -- tiiose concerning basic scientific research

or the extension of theoretical understanding, and tliose concerning technological problems, especially the analysis and identification of materials.

Prior to the activation of the National Standard Inference Data System,

there were over a dozen we 11- recognized, long-term data compilation projects

actively working to supply data for one or the other of tliese needs. Tlie NBS

Office of Standard Reference Data has taken over complete or partial siqiport

of several of the existing projects, and has initiated another dozen. However,

adequate coverage of the whole field is far from reality. Nfost of the current

projects should increase tlieir present budget and staff, and at least another

dozen projects should be started as soon as possible to give attention to highpriority topics.

The Atomic and Molecular Advisory Panel, headed by Dr. E. U. Condon of

the University of Colorado, had its first meeting in May 1965 at Boulder,

Colorado. Nfembership of the panel is sho\>Ti in Appendix A.

The Panel listed sixty-three specific groups of properties in the field of

atomic and molecular properties (see Appendix B). Twenty-eight of tlie topics were given high priority, of \'^ich, five were judged to be critically and

especially urgent.

The OSRD is currently supporting one or more compilation projects in three

of these five critical areas; there is at least some compilation effort going

on in all five. Of the t^'/enty-eight high priority properties, fifteen are being given some active attention.

The active data compilation projects in the area of Atomic and Molecular

Properties are described in more detail below. Projects performed by NBS

Technical Divisions are listed first, then NSRDS contract projects, and finally

projects supported by other sponsors. In several cases, two or more projects

are concerned with the same property or group of properties. With the exception

of direct spectral data, there is little or no duplication of coverage. Because

of the very widespread use of spectroscopy for analytical and identification

purposes, a number of projects have developed over the course of years to supply

reference spectra. The Office of Standard Reference Data recognizes a definite

(though not conplete) responsibility to coordinate such efforts and reduce

undesirable overlap.

1. Title of Project ; Data on Atomic Energy Levels as derived from

Optical Spectra

Principal Investigator : C. M. Sitterley, Atomic Physics Division, NBS

Technical Scope : Tliis activity is concerned v-zith the compilation, critical

evaluation, publication and general dissemination of data on the energy levels

as derived from optical spectra of atoms and ions; and on the observed transitions giving rise to these levels, term designations, electron configurations,

Zeeman effect and general properties of atomic structure.
16

The data published and otherwise made available to the scientific and

technical community constitute some of the most basic constants needed in a variety of fields, such as, plasma physics, astrophysics, atmospheric physics

and spectrochemical analysis. Spectroscopic data fuinish basic information

required to study such problems as stellar evolution, stellar structure,

chemical abundances of elements in the universe. >fuch of the information

obtained from rocket and satellite observations is interpreted on the basis of

data published by this project; such diverse problems as the diagnostics of

rocket exhausts and the analysis of steels depend upon these data.

This project has been given the international responsibility for the

compilation, evaluation, publication and general dissemination of data on the energy levels derived from the spectra of atoms and ions and on the

observed transitions giving rise to these levels. This responsibility has been

delegated by the following organizations:

1) The NA.S-NRC Committee on Line Spectra of the Elements

2) The lAU Commission 14: Fundainental Spectroscopic Data

3) The lAU-IUPAC-IUPAP Triple Commission for Spectroscopy

4) The NSRD System

Products Issued : As a long-term coirpilation project, this activity has

published a number of tables, including:

a) MBS Circular 467, Vol. I, II, III, Atomic Energy Levels as | derived from the Analyses of Optical Spectra. i b) NBS Circular 488, Sections 1,2,3,4,5, An Ultraviolet Multiplet Table.;

c) NBS Technical Note 36, A Miltiplet Table of Astrophysical Interest.

d) NSRDS-NBS-3 Section 1, Selected Tables of Atomic Spectra.

Current Status and Future Plans : In addition to maintaining the Reference

Data Center tor Atomic Spectra, serving a variety of consultative and advisory

functions, and following the progress of programs in other laboratories, this

project has the following objectives to be realized during Fiscal Year 1966:

1) Compilation and publication of tables on Na I and Mg II and

starting work on Ar II, K I and Ca I for Monograph 87, Section 1, Atomic ^ctra

Selected Tables: Atomic Energy Levels and Multiplet Tables.

2) Complete and publish f-lonograph 61, the second revision of Rowland's

Table of Solar Spectrum Wavelengths. This publication includes some 20,000 lines

observed in the solar spectrum between 29 35A and 8770A. It is a project promoted

by the International Astronomical Union and being carried out in collaboratioi

with M. Minnaert at the Utrecht Observatory in The Netherlands,

2, Title of Project : Critical Tabulations of Atomic Transition Probabilities

Principal Investigator : W. L. Wiese, Atomic Physics Division, NBS

Technical Scope : This activity is concerned with the numerical data for

atomic transition probabilities, which determine essentially the intensities of

spectral lines. This is the first attenpt to undertake a general critical

compilation of this material, which is urgently needed by plasma physicists,

spectroscopists, and astrophysicists. The specific objective is the critical

compilation of atomic transition probabilities from all available literature

sources for the ligjitest ten elements and for selected heavier elements, which
17

are important for plasma physics, space physics and astrophysics. This project

receives all of its financial support from the Department of Defense Advanced

Research Projects Agency. Close cooperation is maintained witli the NSRDS and

with other data projects.

Products Issued or to be Issued ; This project has already issued NTBS \tomic Transition Probabilities" ; a has been prepared and is in press.

Monograph 5b ^ lUbliograpl^y on Atomic Transition Probabilities" ; a compilation of

data on the first ten elements

Current Status : The staff members are now updating the bibliography and

are starting a critical compilation of selected heavier elements, to be ready

by 1967.

The compilation will be primarily used by physicists, chemists and engineers

working in the following fields: (a) Atomic physics and spectroscopy;

(b) Plasma physics; (c) Astrophysics; and (d) Space technology.

3. Title of Project : Molecular Ionization Data Compilation

Principal Investigator : H. M. Rosenstock, Physical Chemistry Division, NBS

Technical Scope and Plan of Operation : Accurate information on ionization

potentials and general energetics of moleailar ionization and decomposition

processes is of importance in various areas of science . Existing data

compilations are outdated.

Current Status : The present project has accomplished the following tasks:

1, Searched all literature from 1955 to date for relevant information.

2, Devised a standard format for recording the information.

3, Devised an automated scheme for rapid retrieval and printout of

any desired information in this field.

Requests for specific information by individuals in government, industrial

and academic laboratories are being answered on a same-day basis. Also, a comprehensive body of data on ionization potentials is being made available

to J. L, Franklin and F. H. Field, who are planning a critical evaluation of

the data.

Future Plans : To maintain the file up-to-date; issue a bibliography and

data printout for photoionization; issue annual supplements to the revised

critical compilation of Franklin and Field; and establish similar files in ionmolecule reactions, isotopic abundances and atomic reaction kinetics,

4. Title of Proiect: Atomic Collision Cross Section Data Center

Principal Investigator : Lee J. Kieffer, Laboratory Astrophysics Division,

JILA, University of Colorado, Boulder, Colorado

Technical Scope : The Information Center collects publislied reports which

contain low energy atomic data of interest to plasma physicists and astrophysicists. Current and past literature is surveyed in order to obtain a complete bibliography of such data, IVhen it is appropriate, data are compiled

and critical reviews are issued.

This Data Center was established with partial support from the Department
18

of Defense, Advanced Research Projects Agency. ARPA retains a strong interest

in the program and in the output of the Center; it still provides support for

much of the related experimental program and has supported at least a portion

of the program of critical review monographs which are being written by leading

atomic physicists on the basis of the compilations prepared by the Data Center.

Current Status ; The bibliography of low energy electron collision cross section data is current, A critical review of experimental electron impact

ionization cross section data has been completed, A critical review of the

data for electron impact excitation of atoms is in progress.

Products Issued or to be Issued : JIIJV Report No, 4 - A Bibliography of

Low Energy Electron Collision Cross Section Data . JI LA Report No. 30 - A_ Compilation of Critically Evaluated Electron Impact Ionization Cross Section

Data for Atoms and JJiatomic ^tolecules. JILA Report SJo. 54 - A Bibliography

of Low faiergy Electron Cross Section Data. 1964 . JILA Report No. 51 - Electron

Impact Ionization (^Yoss Section bata for Atoms, Atomic Ions and Diatomic

Molecules; I, Experimental Data (to be published in Reviews of >fodem Physics

January, 19663, Bibliography oTT,ow Energy Electron Collision Cross Section

Data (to be issued as either a JILA Report or NSIUJS Report, April, 19663.

Compilation of Experimental Electron Collision Cross Section Data (April, 1966)

Bibliography of Fnotodetachment , Photo Ionization Cross Section 13ata , (April or

May, 1966).

Future Plans ; The immediate future will be taken up with the critical

review of the data for electron impact excitation of atoms and the preparation

of the above mentioned bibliographies and the compilation of data.

5. Title' of Project; Electromagnetic Cross Section Compilation

Principal Investigator : J, H. Hubbell, Radiation Theory Section,

Radiation Physics Division, NBS

Technical Scope and Objectives ; To generate and periodically update

standard reference tables of photon and related electromagnetic cross sections,

over the energy range from about 0.1 keV to beyond 10 GeV for use by scientists

and engineers.

To evaluate and incorporate into these tables experimental and theoretical

cross section data from the literature and to utilize evaluated data from the

NBS Photonuclear Data Center,

To calculate and tabulate, where present accuracy is inadequate, electromagnetic cross sections such as photoelectric absorption, Comptom scattering,

pair (and triplet) production and bremsstrahlung, including polarization

effects, radiative corrections, and other refinements needed for consistency

with measured data.

To serve as information center and coordinator for photon cross section

measurement programs at university, government and other laboratories.

Current status ; The program is operational.

Products issued or to be Issued ; Conpletion of a program of theoretical

calculations related to bremsstrahlung and pair production, resulting in
19

published results on electron and positron polarization, screening effects

I in elastic electron scattering, and a review article on electron scattering

without atomic or nuclear excitation.

H. Olsen and L. C. Maximon,"Polarized electrons and positrons by

tagging technique,

Physical Review Letters 13 , 112-114 (1964).

J, W. Motz, H. Olsen, and H. W. Koch," Electron scattering without

atomic or nuclear excitation ." Review Modem Physics 36 , 881-928 (1964).

' Completion of a numerical evaluation of the combined effects of the

radiative correction to Conpton scattering and double Compton scattering.

K. J. Mork, "Integrations of the cross section for double Compton

scattering and the radiative corrections to Conpton scattering," (to be

published).

Current knowledge of experimental and theoretical photon cross section

data over the energy range 10 keV - 10 GeV was reviewed, and interim tables

of these data vere compiled for inclusion in the IAEA "Engineering Compendium

on Radiation Shielding."

Future Plans ; Completion of work on numerical evaluation of triplet cross

sections.

Conplete the contribution to the "Engineering Compendium on Radiation

Shielding."

Continue revision of photon attenuation coefficient tables. Main emphasis

will be in the photonuclear region 5-100 MeV utilizing, in addition to the

above Compton scattering and triplet results, the pair production calculations now in progress. In addition, revision \\dll be attempted in the region 1-100 keV,

Initiate, v\^ere gaps in experimental and theoretical photon cross section

data occur, new theoretical calculations.

6. Title of Proiect: Microwave Snectral Tables

Principal Investigator : Yardley Beers, Radio Standards Hiysics Division,

NBS, Roulder, Colorado

Deputy Investigator : Marian S. Cord, NBS, Boulder, Colorado

Technical Scope and Plan of Operation : Tlie objective of this project is

to publish a compilation of the spectral lines of gases lying nominally in the

microwave region, v,hich, for the purpose of this project, is interpreted to

lie between about 300 mllz to 300,000 mHz. According to the present plan, this

compilation will be published in five volumes:

Vol, I Diatomic Molecules

i Vol. II Line Strengtlis of Asymmetric Rotors

* Vol. Ill Spectra of Polyatomic Molecules Capable of Fodiibiting

Internal Rotation

Vol. TV Spectra of Polyatomic Molecules Not Capable of Exhibiting

Internal Rotation

Vol. V Listing of Spectral Lines according to Frequency
Current Status : Volume I was published December 1, 1964, and Volume II was published December 15, 1964. In setting up the remaining three volumes,

the procedure involves the heavy use of electronic computers for coitposition.

At the present time, all of the material for Volume III is at hand and ready

to be set into type. The computer progranming has undergone final debugging.

A preliminary computer printout of the spectral lines arranged under the re- spective molecules has already been accomplished. Ihe introduction has been

written and all the possible manual typing has been conpleted. In Volume IV,

the literature has been conpletely searched and all of the relevant data have

been entered onto punched cards, but the punching has not been completely

verified. Ihe first draft of the introduction and preface has been conpleted.

Essentially, the same prograirming will be used for Volume IV as for Volume HI,

but with minor modifications. Most of the material in Volume V ulll be taken

from some of the same punched cards that were used in Volumes III and P/.

However, the spectral lines in Volume I were punched on cards with a different

system. New cards, in accordance with the new system, have now been pundied.

There remains a small amount of programming to sort these cards out in proper

order.

Products Issued or to be Issued: The five volumes constitute the com- plete output of this phase of the Microwave Spectral Data Project. Future

activities in this area, including continuing conpilation project to maintain

an up-to-date collection of values, under the direction of Dr. D. R. lide of

NBS, will be or^nized with NSRDS support.

7. Title of Project : Atomic and Molecular Processes Information Center

Principal Investigator: C. F. Bamett, Oak Ridge National Laboratory

Technical Scope:

A. Heavy Particle-Heavy Particle Interactions

1. Elastic Scattering Collisions

2. Excitation

3. Dissociation

4. Inelastic Energy Losses

5. Electron Transfer

6. Ionization and Stripping

7. Ion-Ion Recombination

8. Collisional Deexcitation, Broadening and Relaxation

9. Heavy Particle Interchange, Rearrangement and Recombination Inactions

10. Spin Exchange

11. Electron Detachment from Negative Ions

12. Interaction Potentials

B. Interactions with Static or Quasi-Static Electric and ^lagnetic Fields

1. Excitation

2

Dissociation

3. Ionization

4. Detachment

5

Quenching

C. Particle Penetration in Macroscopic Matter (Ions, Neutrals and Electrons)

1. Energy Losses
21

2. Energy to Create an Ion Pair

3. Particle Ifenge

4. MiLtiple Scattering

5. Charge State Populations

6. Excited State Populations

A thorou^ job in these areas requires awareness of publications in

atomic and molecular structure and particle transport in gases.

Plan of Operation: Data are collected and -evaluated by conqDetent technical people working in atomic and molecular physics or chemistry. Project

personnel are AEC staff scientists who spend 10-50 percent of their time in

data analysis and evaluation, and the remainder of their time doing experimental or theoretical work. This effort is augmented by university scientists

viho are under individual subcontract with the Information Center. Because the

work is so closely related to the continuing iffiC programs for experimental and

theoretical work, the project is jointly supported by i\EC and NBS. The output

is especially useful to JffiC staff scientists and contractors.

A fully automatic machine storage system has been inaugurated to replace

earlier hand operations. The literature is searched by the technical staff

and the pertinent references are key punched directly onto computer cards.

The cards are processed to serve as a working bibliography. This printout

is then assigned to specialists vho read the papers, make preliminary evaluations, index and classify each paper and note information such as reactants,

particle energy regions, etc. This information is then punched onto the original reference card, which is then printed out by categories and in a form

suitable for reproduction. Also, the information contained on the cards is

transferred to magnetic tape for retrieval by title words, categories, reactants,

authors, or any combination of these.

At periodic intervals, the papers will be reassessed or reevaluated. Useful data will be extracted from graphs 'by automatic analog to digital conversions

and then to magnetic t^e. Attempts are being made to enlist the author's aid

in supplying tabulations of the original data. The tabulations, both from

authors and machine extracts, will be published along with critical comment

from the reviewer.

Current Status : Preliminary scanning and evaluation has been completed

of the literature since 1963. Some of the major contributing journals, such as Physical Review, Journal of Chemical Physics, etc. , have been searched back

to 1950. The initial phases of our machine information storage phase have been

tested and have proven to be adequate. At present, 2,000 references are being

placed into 7090 computer to serve as a base for testing the accuracy and

completeness of machine retrieval. The retrieval program is being written in a

universal language so that the input can readily be changed from one computer

to another.

Products Issued or to be Issued: In August, 1965 the first bibliography (1963)

for the Information Center was issued as AMPIC-1. An international directory

(AMPIC-2) has been distributed to the technical coranunity. The second bibliography, issued as MPIC-3, covers literature for the year 1964.
22

Future Plans : Development of machine techniques to handle data. The

entire manual system is at present being converted to computer operation.

Ecperiinents v>d.ll be continued to study the efficienqy and feasibilit;y^ of

mass storage and retrieval, especially for tabular and graphical data.

Reviews and tabulations were started early in 1966. Three topics

were chosen for the first reviews: (1) Ion and atom interchange reactions;

(2) Ionization by heavy particles; and (3) Particle interactions with

electric and magnetic fields. Hie manuscript of the first review is about

40 percent complete. A proposal for the second has been received.

Present plans are to include particle interactions with surfaces beginning

early in the 1967 fiscal year.

8. Title of Project : Tables of Critically Evaluated Gas Dipole Moment Data

Principal Investi^tor: Ralph D. Nelson, Jr., ^liddlebury College,

Mddlebury, Vermont

David R. Tide, Jr., NBS, Washington, D.C.

Arthur A. >Iaryott, NBS, Tfeshington, D.C.

Technical Scope : The study consists of the evaluation of all reported

measurements of electric dipole moments for molecules in the gas phase.

Measurements involving the liquid or solid phases will not be considered

because they involve assumptions and interactions of poorly defined magnitude.

The project is a revision of NBS Circular 537, by A. A. >Iaryott and F. Buckley,

published in 1953, ;>iiich is both out of print and out of date. The original

literature reports are being obtained for all measurements and will be evaluated

by coitpetent workers in the field (the investigators).

Stage I is the coirpilation of a bibliography listing all reported measurements. Rather than making a costly page by page search throu^ Chemical

Abstracts , the results of previous compilers in various areas have been combined.

This affords a rougjily thi^efold search throu^ Chemical Abstracts by independent

groups of dipole moment data compilers.

Stage II is the evaluation of the original reports and the assignment of

a best value to each cort^xjund. An estimate of the reliability of the value

will be included. Mditional information, such as direction of the dipole

moment and the dipole moment in excited vibrational states vvill be included

v^ere appropriate.

Stage III is the preparation of tables, introductory material, and

descriptions of precision calibrations for experimental appartus. Publication

follows.

Current Status : The first stage is complete. THvo copies of the bibliography cards have been made, to avoid loss in handling. Spot checks of Chemical

Abstracts have proven that the cort^Dilations used were thorou^ and complete.

It is estimated that Stage n tvill be completed by next I^lay or June, and Stage

III by September 1966.

41

I
23

Products to be Issued: A monograph simlar to Circular 537 vvill be

prepared. In addition, a set of punched cards containing the bibliography

and the finally selected best values ivill be prepared to facilitate future

revisions and to allow for computer handling of the material.

Future Plans: The bibliography i>n.ll be retained in card form for easy

up-dating under later phases of this project. A revision of the tables ivill

be considered vhen the mass of new material justifies such work.

Need for the Results : The experimental values of electric dipole moment

are used by theoreticians to confirm their predicted electron density calculations and to predict intermolecular dipole interactions. Their uork will be more effective if a best value, chosen by competent scientists familiar \Nith

all the various experimental methods, is available.

9. Title of Project ; Bibliography on Flame Spectroscopy

Principal Investigator: Radu >Iavrodineanu , Phillips Laboratories,

Briarcliff Manor, New York

Technical Scope : To assemble references of published works in the field

of flame spectroscopy v>ith special enphasis on the analytical aspect, and

present the information in the form of a collection following the plan summa- rized below.

Flame Emission

1. Review of sources of material

2. Fundamental works - Flame analytical, flame geometry and composition,

flame tertperature, flame reactions, molecular species.

3. Instrumentation

4. Analytical Procedures

5. Less familiar combustion flames

6. Electrical discharges having the appearance of combustion

flames - RF - discharges, bloivn arcs, arc and spark-in-flame

Flame Absorption

1. Fundamental works and reviews

2. Hollow cathodes

Current Status : About 500 references have been collated, typed on punched

cards, indexed and organized according to the foregoing plan.

Products issued or to be issued: A typed manuscript has been submitted

for publication by the National Bureau of Standards.

Future Plans : It is the intention of the investigator to keep the assembly

of references vork on flame spectroscopy up-to-date.
24

10. Title of Project : Atonic Cross Section Data Review Program

Coordinator and Editor : E. U. Condon, University of Colorado

Technical Scope ; A series of review articles and phonographs has- been

scheduled, based on the data coirpiled on particle cross sections for collisions

with electrons. The compilation is done by the Atomic Cross Section Data

Center at the Joint Institute for Laboratory Astrophysics. Autliors of individual review articles are selected for their scientific competence in the

specific field to be covered. At least one of the data compilers at the

Data Center works as a co-author. Dr. E. U. Condon serves as editor of the

series and provides general scientific coordination and assistance. Some of

the titles in this series v/ill be supported by the Advanced Research Projects

Agency of the Department of Defense under a contract with NBS. ARPA also

provides support for related measurement programs which furnish some of the

data input to the Atomic Cross Section Data Center. The review articles

provide for discussion of related theories, interpretation of data, and

general analysis of the state of quantitative knowledge in this area.

Products Issued or to be Issued ; The first review, "Electron Inpact

Ionization Data tor Atoms, Atomic Ions and Diatomic ifolecules," is nav available

as JILA Report No. 51, and \d.ll appear in the January 1966 issue of Review of

^fodem Physics.

Current Status ; A contract has been written to provide the services of

B. L. Moiseiwitch of Queen's University of Belfast, as principal author. The

topic will be Electron Inelastic Scattering Cross Section Data for Atoms,

Future Plans : Additional reviews will be prepared based on data compilations issued by the Atomic Cross Section Data Center. A schedule of one review

per year is planned.

Customers : Astrophysicists, physicists, astronomers and other scientists

active m space and defense programs i\dll use these reviews.

11. Title of Project ; Compilation of Standard X-ray V/ave lengths

Principal Investigator ; J. A. Bearden, Department of Physics,

Johns Hopkins University

Technical Scope ; Under related experimental programs, J, A. Bearden has

succeeded in imn roving the accuracy and precision of techniques for measuring

and recording X-ray intensities and angular distributions. Using sudi highaccuracy data, he will recalculate and redefine an absolute scale of X-ray

wavelengths, and prepare an improved compilation of wavelength data. He v,ill

also be able to calculate improved values for the h/e ratio, and thus make

better determination of several fundamental constants.

Products to be issued ; A compilation of X-ray \\'ave lengths will be published as a revision ot AEC Report NYO 10586, "X-ray l\feive lengths," by J. A.

Bearden.

Current Status : Sources of error and inconsistency in earlier compilations

have been detined, and the major effort is being directed to recomputation of

numerical values based on existing measurements. At the same time, the parallel

i

I
25

experimental program is being developed (under other sponsorship) to

provide new data.

Future Plans : In addition to the conpilation of a standard scale of

X-ray wavelengths, the investi^tor will establish better criteria for

defining wavelengths. Future con^Dilations will be easier to prepare and

vn.ll be more reliable.

12. Title of Project : Molecular Fundamental Vibration Frequencies

Principal Investigator: T. Shimanouchi, Department of Chemistry,

IMversity of Tokyo

Technical Scope : Using hi^ resolution spectroscopy, far infrared

spectroscopy and normal coordinate analysis, Dr. Shimanouchi is confuting

fundamental vibration frequencies of a series of classes of chemical coiTqx)unds

especially organic conqDOunds x-dth selected deuterium substitution. The resulting values are tabulated with assignments to modes of vibration, accompanied

by indication of reliability and probable error.

Products Issued or to be Issued: Tables presenting results for fiftynine selected molecules have been prepared and will be published as a Monograph

in the NSRDS-NBS series. A second group of tables is now being prepared.

Current Status : The text of the first monograph is in press. Conputation

and cQir5)ilation of values for the second series of compounds is approximately

fifty percent complete.

Future Plans : Ihe first monograph will appear by about Jul^'" 1966. Tables

on the second series of conpounds will be conpleted hy September 1966, and

should be published by early 1967. A continuing project is deemed desirable,

since data of this type are needed for a substantial number (several hundred)

key molecules; uniformity of treatment is very inportant.

Customers : Tabulations of fundamental vibration frequencies provide

better understanding of thermodynamic properties, calculation of molecular

energy levels, and accurate knowledge of molecular form fields, chemical bond

strengths molecular structure. Scientists working in all these fields will use

the tables.

13. Title of Project : Stuc^ of Needs and Quality Standards for Infrared

Spectral Coirpilations

Principal Investigator: Nelson Fuson (President of Ihe Coblentz Society, Inc.)

Fisk University, Nashville, Tennessee

Technical Scope : Several sources of Infrared Spectral Data for reference

purposes already exist. Under other projects, the NSRDS has developed plans to

coitqDile and publish additional reference spectra. It was recognized, therefore,

that activities in this area must take account of the needs for reference spectra

and adhere to adequate quality standards for the process of selection and evaluation of spectra, to the end that NSRDS products are useful, scientifically

accurate, and not a duplication of existing collections. The Board of

Management of the Coblentz Society was asked under the terms of this project, to
26

study needs for Infrared Spectral Data, to define quality standards for

coit^xLlations of spectral data, and to provide a professional basis for

congjilation plans in several categories of user requirements.

Products Issued or to be Issued: The recommendations of the Coblentz

Society Board of Management have been summarized in a report tvhich has been

submitted to an appropriate technical journal for publication. Reprints of

the report will be obtained try OSRD for further distribution.

Current Status ; The summary report defines three categories of IR

spectra and sets forth criteria for all three categories. This report com- pletes the first phase of the cooperative effort of The Coblentz Society

Board of Management with the OSRD.

Future Plans : Hie Coblentz Society Board of ^Management will meet tivo or

three more times in the next year, and will follow-up on the application of their

recommendations to the OSRD. The OSRD has already made plans to incorporate

the results of this stucty into other conpilation projects concerned \'dth infrared reference spectra. Responsibility for compilation activities in the three

separate categorT.es of spectra v^hich the Coblentz Society has recognized will

be assigned to bodies T>Mch are apprx)prlately concerned with such information.

Customers : Ihe summary report ^vill be used directly by the OSRD

staff and by those spectroscopists associated witti it vho are collecting,

evaluating and planning to distribute Infrared Spectral Data under other NSRDS

projects. Indirectly, all those v>*io use Infrared S^Dectroscopy for analytical,

identification or structural analysis purposes will gain, because these projects

will be more closely keyed to their needs.

14. Title of Project: Infrared Spectral Data for Refer^aice Purposes

Principal Investigator: L. E. I&ientzel, T^fyandotte Chemical Conpany,

T^fyandotte, Mchiggn

S. Etrls, ASIM, Ftiiladelphia, Pennsylvania

Technical Scope : Infrared Spectroscopy is widely used for analytical and

identification purposes in industrial, academic and goverament laboratories.

Elffective use of Infrared Spectroscopy in this tvay requires standard reference

spectra of reliable quality. Ther^ are already several sources of reference

spectra available on a commercial, semi-cormiercial or non-prx)fit basis. However,

there is a growing need for new reference spectra covering additional classes

of coirpounds, as well as a need for reference spectra of hi^er quality to take

full advantage of iir^^roved instrumentation in this field. This project has the

mission of collecting, evaluating and distributing Infrared Spectral Data of

good quality adequate for identification and analysis purposes. In particular,

attention is being given to collection of Infrared Spectra from a nuntoer of

government agency laboratories and private industrial laboratories uMch could
27

be made available to the public if a suitable distribution neans weTe

provided.

Products Issued or to be Issued : Infrared Spectral Data sheets will be

issued, probably through the oi'f'ices of the ASTM, in the form of loose-leaf

sheets, one spectral data curve to a page. Present plans are that these

loose-leaf data sheets i\ill be distributed in groups of similar or related

chemical compounds. Indexes to these compilations and unit collections

will be provided by the ASTM as part of their own program for indexing spectral

data.

Current Status : More than a thousand spectral curves have been collected

from a number of laboratories. The cooperation of a substantial number of

other laboratories has been solicited and promised. In order that the evaluation procedure can be performed efficiently, it is necessary that several

reference spectra on the same substance be collected and available at a single

time. To achieve this purpose, the current emphasis in the program is on tlie collection of additional spectra to be put through the evaluation procedure.

Future Plans : Collection of Infrared Spectral Data from appropriate

laboratories will continue. Evaluation of these spectra will be performed as adequate collections become available, and the procedures developed by the

Coblentz Society Board of Directors under a separate project already described

will be applied. Publication of these spectra will be effected as appropriate

blocks of spectra on related chemical compounds become available.

Customers : Infrared Spectroscopy is at present the most widely used

single instrumental analytical teclmique in tlie United States diemical industry.

Reference spectra are needed by all people wlio use Infrared Spectroscopy as an identification and analytical method.

15, Title of Project : Compilation of Atomic and Moleailar Gas Laser

Transitions

Principal Investigator : W. P.. Bennett, Department of Physics, Yale Univ.

Technical Scope : Certain data on gaseous atoms and molecules, notably

energy levels and transition wavelengths, together with associated ambient

conditions, are highly useful in the design and interpretation of gas laser

experiments. This project is intended to provide uniform tabulations of such

data on a continuing basis. The data will include numerical indications of

the transitions which can be stimulated, the wavelength of the resultant light,

the appropriate pressure for efficient operations, plus gain, power, etc., of

the systems.

Support for this project is provided by the Department of Defense

Advanced Research Projects Agency through a contract with MBS. ARPA maintains a strong interest in compilations of data related to atomic and molecular energetic processes.

Products Issued or to be Issued ; Tabulations containing the results of

this \vork will be published and distributed by the principal investigator at

three to six month intervals as the data accumulate. Distribution will be made

informally to those workers who are kno^vn to be active in the field. At appropriate intervals, probably annually, the NSRDS may issue a monograph containing

those data sheets prepared up to that time.
28

Current Status : A first distribution, containing a summary of transitions

on v^nich optical oscillation has been obtained, is being prepared for distribution by Dr. Bennett.

Future Plans : Data sheets will be distributed periodically. It is

anticipated that this project will be a continuing one, so that the developing

technology in this field can be kept up-to-date and users of the data may have

a source of reliable tabulations.

Customers : Physicists, astro-physicists and electronic scientists and

engineers active in research and development on laser systems will use such

data to provide more efficient, economical and reliable planning and interpretation of their work.

16. litle of Project : Tables of Ionization and Appearance Potentials

Principal Investigator: J. L. Franklin, Department of Charristry,

Ivilliam >Iarsh Rice University

Technical Scope: A compilation is being prepared of critically evaluated

ionization and appearance potentials and related thermodynamic values. In one sense, this project is an up-dating and continuation of the tabular material in

the well-known text "Electron Impact Phenomena" by Franklin and Field, published by Academic Press in 1957.

The authors are using the bibliographic material collected in the NBS Mass

Spectrometric Data Center (project #3 above).

Products to be Issued: The tables id.ll be published throu^ NBS and

GPO channels.

Current Status : Jbout one quarter of the a-vailable references have been

surveyed, and several tables have been drafted.

Future Plans : Analysis of the references and preparation of the tables

will continue. The manuscript should be completed towaixi the end of 1966.

Customers : The tables will be widely used ty mass spectrometrists and

by many scientists in other fields, including atomic and molecular collision

physicists, thermodynamicists , kineticists and analytical chemists.

I'
29

SIJPPLBIENT TO ATOMIC AND NDLECULAR PROPHRTIHS

The data compilation projects listed above are all operating \vith the

direct cognizance of the National Standard Reference Data System. In every

case, except one, they derive all or a fraction of their financial support

from the NSRDS. In addition, there are several data compilation projects

concerned with atomic and/or molecular data under other sponsorship, which

have only informal association with the National Standard Reference Data

System. In some cases the structure and mission of these projects makes their

continued independent operation desirable; in other cases it will probably

be appropriate for the Office of Standard Reference Data to develop a closer

association between the individual projects and the System.

Independent data compilation activities are of particular interest in

the following areas:

1. The National Academy of Science-National Research Council Committee

on Fundamental Constants serves as tlie United States expression of national

interest on the definition of the values of fundamental constants and as the

affiliated organization for international consideration on this subject. A

report of the NAS-NRC Committee on Fundamental Constants was published as an NBS Technical News Bulletin in October 1963, It contained a tabulation of the

recently accepted international values for the Fundamental Constants.

2. Molecular spectra widely used throughout industry and academic

research, derive much of their usefulness from collections of reference spectra

used for comparison. A numter of organizations currently publish reference

spectra in one or more specific fields. Some are commercial enterprises, others

are essentially non-profit or cooperative in nature. These sources of reference

data serve a valuable purpose and the plans of the Office of Standard Reference

Data take account of their continued operation. These sources provide data in

infrared and raman spectra, visible and ultraviolet absorption spectra, nuclear

magnetic resonance spectra, and mass spectra.

3. Several excellent text and reference books arc available denling with

molecular energy levels derived from spectral data. In many cases, these

text books are written by outstanding scientists and contain some tables of

reference data of higli quality.

4. There are also text books which provide tables of data pertaining to

individual pr bulk properties of atoms, molecules and ions. Subjects covered

by tliese texts include interatomic distances and configurations, dipole moments,

dielectric constants, refractive indices and atomic and molecular polarizabilities,

5. There are numerous reference and text books dealing with semi-quantitative data such as gas chromatographic values, differential thermal analysis

and similar topics.

6. There are several comprehensive data compilation and publication

programs whicli provide important parts of present reference data libraries.

These include the volumes of Landolt-BomsteinTabellen, the Tables de Constantes

et Donnees Numerique distributed by Pergamon Press , the Smitlisonian Physical

Tables and the Handbook of Chemistry and Physics.
30

V. SOLI!) STATE

The first solid state panel neetinp was Fel)ruary 8-9, 196S. T!ie

panel consisted of twelve nembers, divided evenlv Vx3tv.'een ^^Tovremrcnt

university, and industr)'. Panel nenbers are listed in tiic Appendix,

Tlie panel identified those properties v.iiidi were considered to be in

the domain of solid state. Tt prepared a list of those -properties wiiicli

^erc amenable to compilation and for which sufficient neanin.f^ful data v.-ere available to warrant compilation. Some 28 properties (subjects) were so identified. As a result of this panel meeting several people were contacted

for their interest to initiate compilation of data in the area of their

scientific domain and several profirams v;ere initiated.

In addition, tlic panel was advised of those compilation activities

which were known to be in operation. Tentative identification of possilile

activities qualifying for the i\'SRDS were made.

A. Activities supported by OSI^J)

1. Diffusion in metals and alloys . Tliis is a project that will provide

meanin<^ful data on diffusion in metals and alloys, as a part of a larf^er

program on diffusion in solids.

Principal Investigator : J, Manning, National Bureau of Standards

Properties Covered : Diffusion coefficient, activation energy

Product : No product issued to date; ho\Nrever, a bibliography will soon

be available. Future products will be tables of data of diffusion coefficient

and activation in energies.

Status: Literature seardi is just about completed and critical evaluation of extracted data will begin this fiscal year.

Future Plans : Tliis is a continuing project and the data will be maintained on a current basis.

2. Alloy Data : Tliis modest program was initiated to determine the

availability of any existing sources of compilations of metals and alloy data.

Tliese sources include handbooks, biblior-raphies, conference r>roceedings , and

text books containing extensive compilations of alloy data. Tlic range of information sought is: (a) equilibrium pliase diagrams as a function of composition, temperature, and pressure, (h) cr^^stallograp^.ic data and X-ray lattice

parameters, (c) thermodNTiamic data, (d) selected kinetic data, including

diffusion constants, (e) important physical properties such as thermal con- ductivity, specific heat, magnetic resonance data, and otlicr such data. A

compilation of these compilations is being prepared together ulth brief annotations on eacli entry.

Princinal Investirator: L. !1. Bennett, N'ational Bureau of Standards

Status : .Literature survey is essentially complete and annotations are
31

being prepared and a draft being prepared.

Product : An annotated bibliography of alloy data compilations will

be published as part of the NBS National Standard Reference Data series.

Future Plans : If funds are available, the effort will be directed to

produce an encyclopedia of alloy data. Tins encyclopedia would sumarize

data in the areas listed above. It v.Duld provide conTplete data when they

are not available in critically evaluated fom elsewliere; tlic encyclopedia

would refer the reader to other reviews or conpilations for tlie complete

data when such existinj^ conpilations are acceptable as critically evaluated

and when they are readily available. Effort would be limited to binary and

selected ternary alloys, omittinr^ mechanical T->roperties and ennineerinj^ data.

3. Publication ofCrystal Data" ; Tfie function of this nroiect is to

revise and brin.r: un-to-date, the volume, Cr)''stnl Data . Tliis book contains

crystallographic data on all solids on v;hicn, at least, unit cell dimensions

have been measured. Tlie information is used in identifyin.r^ crv'Stal aliases,

and as an index to nliysical properties and structure.

In this revision for the 3rd Edition, tlic data are to be nut on linofilm

tapes and magnetic tapes so tliat future revisions, additions, and corrections

may be made quickly, thus promoting currency, A computer pro^rram is beinr;

written which will allow ready insertion of new data, rc-indexinr^, etc. In a sense, this project is an experiment to determine the feasibility of usinp a computer program for tlie rapid revision of a compilation.

Principal Investigators and Location ;

1) Chief Editor - Dr. J. Donnay, Jolms Hopkins University, Baltimore, ?!d.

2) Washington Editor - Dr. Helen M. Qndik, Section 313.06, HIP, NT.S

3) Organic Editor - Dr. 0. IGennard, Cambridge University, Cambridge, England

4) H. F. Md^turdie, Chief of Section 313,06, NBS, is in general cliarre of

arrangements.

Properties Covered : Unit cell dimension, density, ratios of crystallographic

axes, bibliography.

Product ; The 3rd Edition of Crystal Data will be published in 1966.

Status : The work is in process. Most of tlie new material to be added has

been identified and edited. Tlie process of putting material on tapes and correcting them is about 1/3 done. Codes are being produced by an outside contractor

for processing the magnetic tapes.

Future Plans : It is nlanned to continue Crystal Data into future editions

and possibly to extend its coverage.

4. Standard X-ray Powder Patterns : This is the A.^TM program for the Joint

Committee on Chemical Analysis by Pravrder Diffraction ?tethods. The Committee is

composed of members from tlie ASTM, ACA, and British Institute of Physics. The

project is a compilation of diffraction patterns from many sources. Tliis is a part of a new series of NIIS Publication, Monograph 25. The financial support
32

for this project is by the National Bureau of Standards.

Principal Investigator: (For Monograph 25) H. E. Swanson

Properties Covered : Principal lines and intensities

Product : Monograph Series No. 25

Status : Continuing project. l\fhen sufficient data have been obtained

a new section of the monograph is published.

5. High Pressure Data : This project is concerned with the collection

and critical evaluation of all high pressure data (of solids)

Principal Investigator : H. Tracy Hall, Brigham Young University

Properties Covered : High pressure, fixed points, M. P., phase transitions, magnetic electrical and optical properties, thermodynamic data.

Product : No product issued to date. Contract initiated September 1965.

Future product will be compilation of high pressure data plus bibliography.

Status: Literature search to obtain a complete bibliography on high

pressure data. This will include copies of original articles plus translations when needed.

Future Plans : Continuing project, data file and bibliography will be

maintained current

6. Superconductive Materials : The Standard Reference Data Center on Superconductive Materials will collect and collate all known data on superconductive materials within the capabilities of the present effort. Sources

of data will include the published literature as well as unpublished contributions from established research workers in the field. The most probable values

of the superconductive constants will be chosen for an ideal material when

sufficient data have been published. However, all the data contributions will

be referenced, except in a few isolated instances, so that subsequent re-evaluation may be made by the research worker utilizing the data on a specific material,

Divergent values of equal weight will both be listed and referenced.

The basic data will be maintained in readily accessible hand ^^^ritten form on standard machine cards. The filing will normally be alphabetical by the

elements

Basic data punched on the cards are: (a) the elements present; (b) the

critical temperature; (c) the critical field; (d) a literature reference;

(e) the lowest temperature to which a nonsuperconductive material has been

tested; and (f) the Strukturbericht code for the crystal structure.

All of the above are also hand written on the cards as well as (a) complete

crystal structure data where available; (b) the composition of the alloy, com- pound or mixture; (c) available thermodynamic data (electronic specific heat
33

and Debye theta) ; (d) data on high field (or Type II) superconductors and

(e) additional comments where pertinent.

Computer programs have been written to introduce the punched data on

the cards onto tape for fast sorting and collation. Printout may be by

alphabetical element sequence, by critical temperature value, by critical

field value and by specific element -- i.e., all materials containing tin.

Principal Investigator : B. W. Roberts, General Electric Company,

Schenectady, N.Y.

Properties Covered : Critical temperature, critical field, temperature

range, crystal structure, composition, thermodynamic data.

Product : A compilation has been issued, "Superconductive Materials and

their Properties," published in " Progress in Cryogenics ." An addendum to

this publication will be issued in May 1966.

Status : The main file has been updated and the crystal structure code

addedT The literature has and is being systematically searched. New data

are being extracted, recorded and matching cards punched.

Future Plans : Literature will continue to be searched and a new addendum

to the above article issued until such time when the accumulation of data

warrants the publication of a monograph.

B. Projects supported by Other Agencies

1. Diffusion in Gases, Liquids and Solids : This is a comprehensive program

funded entirely by NASA that essentially rounds out a complete compilation program

in diffusion. The other parts of the diffusion program are, metals (NBS) , semiconductors (IBM), oxides, carbides, nitrides (LRL) , the latter two compilations

are discussed below.

This project consists of four separate compilations:

Diffusion in turbulent systems : (Dr. J. M. Marchello)

Data on the transport of chemical species, heat, and momentum in turbulent

flow fields is being compiled and evaluated. Both confined and free flow fields are being surveyed. Some of the types of transport in confined flow are: heat, mass and momentum transport in conduits; porous media, and boundary layers. Free or unconfined flow includes: jets and streams issuing into large bodies; meteorological, and oceanographic flows.

Only systems for which the molecular transport coefficients are well established are being considered. Excluded from the survey are: non-Newtonion fluids;

systems at extremely high or low temperature; magnethohydrodynamic systems; and,

very low pressure gases. The major emphasis at present is on subsonic turbulent

flow of gases and liquids. Some information is becoming available on turbulences

in supersonic flow of gases. As more information becomes available supersonic

flow fields will be given increased consideration.

The plan of operation will follow a three step sequence: (1) define the

quantities to be measured and the interrelationship between the basic statistical
I

34

turbulent properties nnd the turbulent transport coefficients; (2) survey

the literature in eacli of the areas to detcmine wliat infomation and data

are available; (5) critically evaluate data and present it in convenient

form for use by workers in the field.

Diffusion in Gases : (E. A. Mason)

Collection and critical evaluation of all the riensurenents of gaseous

diffusion coefficients at all available tenperatures in the low-pressure

(ideal gas) region. Tlie major emphasis is on binary mixtures; extension to

multicomponent diffusion is fairly simple because it is primarily characterized

by the binary coefficients of all tlie pairs in the mixture.

The initial restriction to ideal gases is made because an accurate kinetic | theory is available for this region. Tliis theory makes possible an extensive ' correlation with otlier mixture properties, in particular the viscosity, tlie

thermal conductivity, and the thermal diffusion factor. The second phase of the

project will be to collect such related data and carry out a correlation. The

third phase will be to use the kinetic theory to obtain information on tlie

forces bet^veen pairs of unlike molecules from the experimental data, insofar

as this is practicable. !

Diffusion in Liquids : (R. B. Reckman)

^ Both aqueous and non-aqueous solvent systems \\n.th ionizing and non-ionizing

solutes are included in tlie compilation and evaluation program. Excluded initially

from this compilation and evaluation survey are those systems in which the solvent or the solute represents a heterogeneous chemical species that can not be readily

characterized on the basis of pure component properties -- i.e., a liquid tar or broad spectrum liquid petroleum of generally variable composition and/or properties would not be included, but a binary, ternary or multicomponent mixture

(either solvent or solute) of pure components with a definable composition is

to be included. Essentially this restriction implies tliat tliose systems of well

definable composition and bounding conditions for the evaluation of the liquid

phase transport properties are of primar>' interest.

Diffusion in Inorganic Crystals : (H. Sdiamp)

Compilation will be limited to diffusion in As-ell defined inorganic crystals.

Principal Investigators ; J. M. Marchello, H. Scharp, E. A. Mason, R, Beckman,

University of ^!aryland, College Park, Md.

Properties covered : Diffusion coefficient, activation energy, viscosities,

mobilities.

Product : No product issued to date. Contract initiated July, 1965. Future

product will be tables of data with appropriate bibliography.

Future Plans : Tliis is a continuing project supported by N.^SA and it is

expected to slowly evolve as a major data center in this area.

2. Diffusion in Semiconductors ; This project v;as initiated by the principal

investigator's personal interest and was intended oricjinally to be a review

article. After discussion with OSRD it was decided that the project would continue
35

to function as a data center maintaining a current data file. Tliis nroject

is supported entirely by 11^1.

Principal Investigator : R. F. Peart, International Business Machine Co,

Properties covered : Diffusion coefficient, activation enerc^ies, densities

on semi-conductor materials.

Product : None issued to date.

Status ; Data is being extracted from tlie literature and a bibliof^raphy

vdll be available next year. It is expected that a monograph containing the

evaluated data and discussion will be available within 12 to 18 months.

Future Plans : Indefinite

3. Diffusion in Oxides. Carbide and Nitrides : Tliis is a program initiated

in the Inorganic ^laterials Division of LllL at Livermore and is si^Dported entirely

by AEC.

Principal Investigator : R. !i. Condit

Properties covered : Diffusion coefficients, activation energies, densities

Product : No product issued to data

Status : Literature is now being collected. Data evaluation vdll begin

sometime m FY 1967.

Future Plans: Uncertain.
36

VI . THERMODYNAMICS

The Office of Standard Reference Data (OSRD) in developing its

program in thermodynamics has relied very heavily on advisory panels,

ad hoc panels, consultants, and Bureau personnel. Two conferences

under the auspices of the National Academy of Sciences have been held,

one in May 1964 and the other in April 1965, both organized by the

Office of Critical Tables of the NAS-NRC. These conferences were for

the purpose of providing guidance as to the needs of the scientific

and technical community for compilations of thermodynamic data and to

suggest a priority list of projects. The recommendations resulting

from these conferences were carefully screened in light of available

funds and personnel and, where possible, action was taken to institute

compilation programs.

The Office of Standard Reference Data has made a detailed survey

of known data compilation centers funded by other government agencies,

as well as those by NBS. In addition to compilation centers, OSRD has

attempted to compile a conprehensive list of individuals who are en- gaged in conpilation activities. Most of these compilers are engaged

in preparing texts or review articles and they represent a large source of prospective compilation centers.

The OSRD has now identified sufficient groups, some active and

others in the category referred to above, which could provide 80-90%

coverage of the technical scope in the area of thermodynamics. By this

it is meant that 80-90% of data needs for the scientific and technical

community could be met by existing groups plus other individuals or groups who have been identified and who have expressed a willingness

to engage in compilation activities. To accomplish this coverage would

require a considerable expansion in level of effort of many of the ex- isting groups. Such a canprehensive program can be put into effect in an orderly manner as funds become available. An instructive exanple

providing some idea of the unevaluated data accumulating each year may

be found in the lUPAC bulletin for thermodynamics and thermochemistry.

In the 1962 issue this Bulletin listed 499 references; in 1963, 1282;

in 1964, 1819; and in 1965, 2167. In each case the Bulletin gives the

literature for the previous year, i.e., the 1965 issue lists the literature for 1964. Only a certain fraction of this literature appears in

compilations; the remainder is dispersed throughout the world literatureAdditional activities which are needed to give adequate property

coverage for data needs in thermodynamics are:

1. P-V-T relations and all derived data in single and multicomponent

systems, including homogeneous and heterogeneous systems (vapor- liquid,

solid-vapor)

2. Dissociation constants of acids and bases, and stability constants

of complex ions.
37

3. Half-wave potentials.

4. Solubilities of all substances in aqueous and non-aqueous media

(except metals) and all derived data.

5. Bond dissociation energies.

6. Thermodynamic functions as a function of tenperatures for all

organic substances.

In the following pages are listed those major conpilation centers

v^ich are now active and v^ose products contribute significantly to

the total data compilation resources of the American technical community. The operations of all these groups involve some degree of critical evaluation. Judgment on whether the designation "Standard Refer- ence Data" should be applied to the products must await the development

of an agreed-i45on procedure for making such a decision.

INORGANIC COMPOUNDS

Current activities in the U. S. on the compilation of thermodynamic

properties of inorganip compounds cover the scope of desired properties

reasonably Satisfactorily. However, the total level of effort is not adequate and it is estimated that only about one quarter of the published

data is evaluated and compiled, thus producing an enormous backlog.

Cooperation among existing compilers is good and consideration is

being given to the mechanics of sharing the task of literature searching in this area. A possible mechanism is to confine the task to one laboratory with the other laboratories having remote access to the collected information (bibliography, original documents, tables, etc.).

Tliis approach is probably feasible for this area, although it may not

be for others.

A. Compilation Centers Supported Entirely by NBS-OSRD

1. Selected Values of TTi^rmodynamie Properties of Inorganic

Substances, Revision of NBS Circular 500, Series I. ITiis project, in the past, has been supported largely by the AEC and,

indeed, this agency will have covered the major cost of the re- vision. The project is now entirely supported by NBS-OSRD.

Principal Investigators

D. Wagman and W. Evans, V. B. Parker,

I. Halow, S. Bailey, and R. H. Schumm, National Bureau of Standards.

Properties Covered: Standard Gibbs Energy, Heats of formation,

Entropy, Heat capacities, Entlialpy at absolute zero, and Thermal

Functions

.

Product; Tables of selected values of the properties of

standard state's of the elements and their compounds.
38

StatusThe first portion of revised tables of heats and

free energies of formation at 298.15*K, for the first twentythree elements in the standard order of arrangement, have re- cently appeared as NBS Technical Note 270-1.

Future Plans: Tables for the next nine elements are com- pleted and typed. These will be submitted for publication as TN 270-2. Additional tables will be assembled and published in

the Technical Note Series, as prepared. It is hoped that this

revision (of Tables of Series I of C-55) can be completed by

next summer. The revision of tables on the heats of phase transitions (Series II Tables) and preparation of the text material

relative to the data on Series I are next on the schedule.

Comments: At present the technical staff doing critical

analysis of the data consists of six technically trained people.

An additional four people are engaged in abstracting current literature, maintaining microfilm reference files, etc. An annual

Substance- Property Index to the published literature in chemical

thermodynamics is prepared for publication in the Bulletin of

Thennodynamics and Thermochemistry , sponsored by the lUPAC.

2. Selected Values of Thermodynamic Properties of Inorganic

Substances, Revision of Circular 500, Series II , compilation by same group described in Item 1.

Properties: Heats of transition of all substances (organic

and inorganic)

StatusData are being collected. Critical evaluation and

publication depend upon the recruitment of staff and the availability of funds.

3. Thermodynamic Properties of Elements and Compounds, Phase

Relations , and other data of general usefulness for correlating

physical properties. This program is carried on by L. Brewer of

the University of California at Berkeley, and represents a wide

range of interests. Most of the compilations are published in

the open literature. Project is funded by AEC.

Principal Investigator: L. Brewer, University of California

at Berkeley.

Properties Covered: Thermodynamic, spectroscopic, crystallographic.

Product and Status :

a. Thermodynamic Properties of the Elements: The con^ilation of enthalpies of sublimation and free energy functions

of the elements has been a continuing activity since 1944.

The first ccmqDilations were issued as Manhattan District Project Reports and revised in 1948 for publication in the
39

National Nuclear Energy Series, Vol.l9B. The compilations were brought up to date in 1955 and again in 1958 and were

issued as UCRL reports which were not published elsev^ere

as they are incorporated into JANAF Tables. Data are now

reported in R. R. Hultgren's Thermodynamics of Metals and

Alloys .

b. Thermodynamic Properties of the Halides: Manhattan District Project Reports were revised and published in the National Nuclear Energy Series, Vol. 19B and have recently been

brought up to date in two Chemical Review papers dealing with

monohalides and dihalides. No new compilations are in progress

that deal with halides alone.

c. Thermodynamic Properties of the Oxides: Manhattan District Project Reports were revised and published in a 1953

Chonical Review paper. The dioxides were brought up to date

in a Chemical Review paper in 1961 and the monooxides have

been brought up to date in a paper that should be published

in Chemical Review in 1966.

d. Thermodynamic Properties of the Actinides: Papers covering the conpounds of U, Np, and Pu were published in National

Nuclear Energy Series Vol. 14B and in Vol. 1 of Chonistry of

Uranium, No compilations are underway at the moment.

e. Thermodynamics of Refractory Canpounds : A review was published in National Nuclear Energy Series Vol. 19B and supplemented with additional conpilations , particularly for borides

and silicides, in Journal of Electrochemical Society 1955 and

1956 and in UCRL-2888. An additional conqjilation is in progress

for refractory intermetallic confounds.

f. Spectroscopic Data : A compilation of excited electronic

levels of diatcmic molecules was conpleted in 1962 and published

in 1965. Additional compilation along these lines is in progress.

g. Crystal Structure Data : A compilation of structures and

composition ranges of the phases of the multicomponent transition metal phase diagrams was published in 1965. Additional

compilations for other systems are on hand. No plans as yet

for publication.

h. Thermodynamics of Mo Compounds

A compilation on Mo com- pounds has just started, but will probably take more than a year to ccwnplete.

i. Thermodynamics of Aqueous Salt Solutions: Data have been

collected for over 25 years. Tables published in 2nd Ed. of

Lewis and Randall and will be revised and up-dated.

j. General The rrnodynamicConroilat ions: Compilations in 2nd

Ed. of Lewis and Randall will De brought up to date.
4';^

4. Low Temperature Heat Capacity. This is a compilation and

critical evaluation of all low temperatures (0 - 400** K) heat

capacities. It is intended to cover all pure substances (inorganic and organic). This is a low- level effort and progress will

be slow unless the activity is increased.

Principal Investigator: G. Furukawa, National Bureau of

Standards.

Properties Covered : Heat capacity constant pressure (0 - 400*'K)

Product: No product has been issued to date. It is anticipated that the first product will be issued some time during FY66.

This will be the heat capacity of alkali metals. In addition, a general bibliography will be made available to interested parties.

This work is coordinated with the Thermophys ical Properties Research

Center at Purdue University vdiich supplies part of the bibliography.

StatusReport on the heat capacities of the alkali metals

will be issued by NBS in FY1966.

Future Plans: Compilation of data will continue. The next

publication anticipated will cover the alkaline earth metals and

this will be followed by the alkali and alkaline earth oxides.

Plans then call for some selected organic data.

B. Conyilation Centers Supported by Other Agencies

1. "JANAF Tables" (Joint Army-Navy-Air Force)Preparation of

the so-called "JANAF Tables" is conducted as part of a largely ex- perimental program initiated by ARPA, and new supported by the Air

Force. The experimental program is carried on at several laboratories v^ich report their results individually. The JANAF Tables

are a conyilation effort and include data from all sources. The

program consists of two parts, one classified and the other unclassified. The effort is confined to the light elements (first two periods of the periodic tables) plus some selected heavy elements

approximately 1/4 of the elements in the periodic table are covered.

Principal Investigator : D. Stull, Dew Chemical Company

Properties Covered: Standard thermodynamic functions as a function of temperature , Heat capacity, Entropy, Gibbs energy

(standard and as a function of temperature) , Heat of Formation

(standard and as a function of tenq^erature) ; Standard State is

298°K.

Product

JANAF Tables issued quarterly. Two types of tables

are issued, v^ite and grey. The v^ite tables contain critically

evaluated data, the grey do not.

Status: Tables are constantly being revised and continue to

be issued. The Clearinghouse for Federal Scientific and Technical

Information (NBS) has recently announced the availability of the

existing collection of tables.
41

Future Plans: Groi^ will continue to exist indefinitely

producing tables on a quarterly basis.

2. Light Element Program: This is another part of the ARPA program referred to above. THe major activity of the group is experimental; however, approximately two man-years of effort each year

are devoted to compilation and critical evaluation of the data produced under the experimental program.

Principal Investigator: C. Beckett, G. Furukawa, and G.

Armstrong, National Bureau of Standards.

Properties Covered: Same as 1 above except that standard

s tate is O^K.

ProductResults appear as semiannual report and go into a general distribution list. The experimental data are incorporated,

as appropriate, in the JANAF Tables.

Future Plans: Program is expected to continue along present

lines.

FundingEntirely by DoD.

3. Thermodynamic Data Compilations: The title of the project

does not give an accurate description of its activities. The group

produces a variety of data conqjilations ; however, the major contriijution at the present time is Heat Capacity Data . The project was originally under the direction of K. K. Kelley of the Bureau of

Mines, who has now retired.

Principal Investigator: E. King, Bureau of Mines Station, University of California, Berkeley, California

Properties Covered: Heat capacities as a function of tanperature from about 20 '*K. to highest temperature determined.

Product: Tables of Heat Capacity Data

4. Thermal Functions of Rare Earth Elements and Compounds: This

project has been recently initiated. It is concerned with the gas- eous state from ZQS^K upwards.

Principal Investigator: R. Feber and C. C. Herrick, University

of California, Los Alamos Scientific Laboratory.

Properties Covered: Standard Thermodynamic Functions as a function of temperature , Standard Heat capacity. Entropy, Gibbs

energy. Heat of Formation (Standard State 298*K), and Gibbs energy

entropy and heat of formation as a function of temperature, and

bond association energies.
42

Product

Ideal gas theimodynamic functions of lanthanide and

actinide elements and compounds.

StatusOne report has been issued in the Ideal Gas Thermo

dynamic functions of the elements. A second report on diatomic

molecules is in preparation and will be available this calendar year.

Future Plans: The group intends to continue compiling data and

publish tables as they become completed.

ORGANIC COMPOUNDS

Conq)ilation activity in organic compounds is limited. There exists

a large body of information which should be collected, critically evaluated, and put into a single compilation. The compilation activities

which now exist are spotty and do not adequately fulfill the needs identified by panels of consultants. For example, the revision of Parks and

Huffman's Free Energies of Some Organic Compounds , which is being done by

E. Westrum, D. Stull, and G. Sinke, is scheduled for publication sane time in 1966. This project will probably not be kept current.

A. Compilation Activities Supported Entirely by NBS-OSRD

1. Standard Heats of Formation of Organic Compounds: A selected

con^Dilation of the standard heats of formation of organic compounds

Principal Investigator: I. Halow, National Bureau of Standards.

Properties Covered: H^

Status

Data have been collected and critical evaluation is

proceeding. It is anticipated that a product will be issued in calendar year 1966.

Future Plans: Efforts are being made to increase the level of

activity.

B. Compilation Activities Supported by Other Agencies Either Alone or

in Cooperation with OSRD

1. Selected Values of Properties of Organic Ccwipounds: This project consists of two parts, the API #44 and the Manufacturing Chemists Association project v^rflich is jointly supported with OSRD.

API #44 is supported entirely by the American Petroleum Institute

and is confined to compilation of thermodynamic and physical properties of hydrocarbons, carbon-hydrogen- sulfur compounds, and carbonhydrogen-nitrogen compounds. The MCA project is supported jointly

by the Manufacturing Chemists Association and NBS-OSRD. Compilation

is the same as above but confined to a selected list of compounds

decided upon by the technical advisory conmittee to the MCA project,

(primarily oxygen compounds).
43

Principal Investigator : B. Zwolinski, R. C. Wilhoit, Texas

A 5 M University, College Station, Texas.

Properties Covered : Boiling Point, Freezing Point, density,

refractive index. Intra -Red, Ultra -Violet, Nuclear Magnetic Resonance, Mass Spectra, Raman Spectra, Vapor Pressures, and all

standard thermodynamic functions.

Product: API and MCA Tables of "Selected Values of Physical

and Thermodynamic Properties" issued semiannually (looseleaf) by

Texas A 5 M Press.

Status : Expected to continue indefinitely. Increased level

of effort is needed.

Future Plans : Through the cooperation of the MCA advisory

panel, the API and the NBS-OSRD it is hoped that this project can

be expanded.

Users : The data sheets are sent to more than 1500 organizations (industry and universities)

.

2. Thermodynamic Properties of Compounds of Biochemical Interest : This is a project funded by NASA.

Principal Investigator : G. Armstrong, National Bureau of

Standards

Properties Covered : All standard thermodynamic functions and

thermal functions on selected compounds of biochemical interest.

Product: Four quarterly progress reports containing data, as obtained.

Status: Project has been continued on a year to year basis.

There is no long teim commitment.

Future Plans : All data produced in quarterly reports are to

be summarized in one report when sufficient data have been accrued

to warrant this.

CRYOGENICS

Under this general heading are grouped those compilation centers that are concerned with the thermodynamic and physical properties of substances

at low temperatures. There are no projects in this category supported by

NBS-OSRD.

1. Cryogenic Data Center : This is a data center at NBS-Boulder that owes its origin to the liquid hydrogen program at Boulder. This group

is now funded entirely by NASA.
44

The program areas in the Data Compilation Unit are: (1) properties of fluids, (2) properties of fluid mixtures, (3) properties of

metallic elements, selected alloys and dielectrics, and (4) mechanical properties of structural materials. At the present time, the

Unit's activities are concentrated primarily in the area of properties of fluids. The other program areas will become active as work

is conpleted in the programs for properties of fluids.

Principal Inyes t igatorR. Stewart, V. Johnson, National Bureau

of Standards, Boulder, Colorado.

Properties Covered:

(a) All thermodynamic functions

(b) Thermal functions

(c) Vapor pressure data

(d) PVT data on pure substances and mixtures

(e) Physical properties at erogenic temperatures

1. Dielectric constant

2. Emissivity

3. Specific heat

4. Density

5. Thermal conductivity

6. Viscosity

7. Thermal diffusivity

8. Surface tension

9. Electrical resistivity

Status

This is a continuing project supported by NASA and is probably the largest cryogenic data center in existence. The group is un- dergoing a small expansion and ho|^es to increase their data compilation

capabilities and answering service.

Product

The products are data compilations and bibliographies.

Examples of the product are:

(1) The dielectric constant of solid, liquid, and gaseous He, H2,

Ne, N2, O2, air, CO, F2, A, and CH4.

(2) A bibliography on the thermophysical properties of argon.

(3) Thermodynamic properties of liquid and gaseous argon from

86 to 300 ''K, with pressures to 1000 atm.

(4) Thermodynamic properties of liquid and gaseous neon from

25** to SOO^K, with pressures from 0.1 to 200 atm.

(5) Property differences of ortho and para hydrogen.

(6) A vapor pressure equation for oxygen.
45

In the next few months, it is anticipated that the following conpilations will be issued:

(7) Thermodynamic properties of liquid and gaseous oxygen from 55** to SOO^K, with pressures to 200 atm.

(8) Viscosity and thermal conductivity of dilute argon.

(9) Viscosity and thermal conductivity of oxygen.

(10) Viscosity and thermal conductivity of nitrogen.

Future Plans

The groiq? intends to expand their low temperature

bibliography in depth to ensure that they are at better than 95% coverage. The answering service will be expanded.

I. Thermodynamic Properties of Helium and Helium Systems: This is a new

:ompilation activity tnat has been initiated by Bureau of Mines personnel

2.compiJ

at the Helium Research Center. It will not be competitive with the MBS

effort but will si4)plement it. Excellent cooperation between the two

groups exists.

Principal Investigator: L. W. Brandt, Bureau of Mines Station,

Amarillo, I'exas. Product

Research information plus compilations of critically

evaluated data

.

Properties Covered: Probably all thermodynamic and physical properties of the systems (Binary, Ternary, and higher).

Status

Project has only recently been initiated.

PVT RELATIONS

There is considerable activity in this area but usually of a single

venture nature. There is as yet no data center that is doing a thorough

search of the literature and compiling all existing PVT data.

A. Compilation Programs Sponsored Solely by NBS-OSRD

1. Thermodynamic Properties of Gases Including Polar Gases: This

program consists of two parts (1) Thermal properties of gases and

(2) Polar gas properties.

Principal Investigator: J. Hilsenrath, National Bureau of

Standards

Properties Covered: P-V-T and derived data, and thermodynamic

and thermal functions. Theoretical models will be developed which

can be fitted to existing data and will provide smooth extrapolation

outside of the experimental range.
46

ProductPart (a) will be essentially a revision of MBS

Circular 564. The thenrodynamic properties of air from room

teirperature to 15,000°K will be issued in FY1966. Part (b)

will consist of a series of monographs, the first of which will

be that on NH^.

StatusContinuing project. When NH., is con^leted, properties of HF will be obtained. NBS Circular 564-will be revised.

Future Plans: Continue compilation of polar gas properties.

2. Theoretical Studies on Equation of State: The thermodynamic

advisoiy panel has repeatedly emphasized the desirability of si^)-

porting theoretical studies on equations of state.

Principal Investigator: S. Y. Larsen, National Bureau of

Standards.

Properties Covered: Virial coefficients , Lennard-Jones potentials , P-V-T properties

Status

The group publishes in the open literature and is

very active.

B. Conpilation Programs Sponsored by Other Agencies Solely or in Cooperation with NBS-QSRD

1. P-V-T relationships in hydrocarbons .

Principal Investigator: D. Douslin, Bureau of Mines, Bartlesville, Oklahoma

Properties Covered: P-V-T and derived quantities, Cp, density,

virial coefficients , Lennard-Jones potentials on pure compounds and

mixtures

Product : Group has been publishing compilations of data as Bureau of Mines bulletins; however, there has been no extensive

COTfipilation of PVT data published.

StatusLarge scale systematic conpilation activities were

only recently initiated.

Future Plans: It is the intention of tiie OSRD in cooperation

with the Bureau of Mines to make this one of the largest single

centers for the compilation of PVT properties in homogeneous and

heterogeneous systems.

SOLUTIONS

The thermodynamics of solutions may be roughly divided into two areas:

(1) Electrochemistry and (2) Pressure- -Temperature composition relations. In area (1) there is considerable activity, largely because of the urgent needs

for these kinds of data. NBS-OSRD is placing considerable emphasis on this

area. The product here is mostly in the form of text books.
47

1. Electrochemistiy of Aqueous, Non-Aqueous and Rised Salt SJ^stons. Tliat part of

the program dealing with fused salts is discussed under that heading.

A. Aqueous Systans

Principal Investi^tori W. Hamer, National Bureau of Standards

Properties Covered; Standard Emf , activities, activity coefficient, conductivities, heats of solution, transference numbers, ionic mobilities.

Status ; Literature is being searched and tables of data are being compiled.

Two preliminary reports have been issued. Quarterly Report #1 contains statement

of conventions, constants, etc. Quarterly Report #2 contains theoretical calculations of activity coefficients, 'febles on conductivities are now being prepared.

This will be followed by tables of Standard Bnf

.

Future Plans ; Group will continue to con^ile data and maintain data file

on a current status.

B. Non-Aqueous Systeans

Principal Investigator; Lor^n Hepler, Carnegie Institute

Properties Covered; Standard Eraf , activities, activity coefficient, conductivities, heats of solution, transference numbers, ionic mobilities.

Status; LiteiB-ture is being collected and will then be reviewed. This effort

is to be coordinated with that above and all conventions, symbols, etc. will be uniform.

Future Plans ; Group will continue data compilation and maintain data file on a current basis.

fflASE REMTIQNS

Ihe conpLlation of phase diagrams by various groups throu^out the U.S. is quite

extensive. If the current level of effort can be increased modestly, coverage for

solid systems will probably be adequate. A new activity needed in this area is for

liquid-liquid equilibria.

A. Activities Funded by NBS-OSRD

1. Compilation of Binary Metallic Qxlde Phase Diagrams ; Tliis is a compilation

of phase equilibrium relations of 1711 binary metal oxide systems, and is a part of

the general activity of a larger group participating in the production of the com- pilation of phase diagrams for ceramists.

Principal Investigator; R. S. Roth, National Bureau of Standards

Properties ; Phase diagrams of binary oxide systems. Melting points of

metal-oxides and binary compounds of metal oxides.

Product; NBS Monograph 68 "Melting Points of Metal Oxides" has been issued.

Status ; Literature search is completed and critical evaluation proceeding.

Diagrams will be available for publication in Fr66.

Future Plans ; To continue the collection of all pertinent published data

referring to the phase equilibrium relations in binary oxide systems and to critically

analyze the data.

B. Compilations Funded by Other Agencies Solely Or In Cooperation lfl.th OSRD

1. Binary Metal and Metalloid Riase Diagrams ; This progr^am is essentially

a revision and updating of Hansen's book Constitution of Binary Alloys . Ihe revision

is in the fonii of a supplement, not a completely revised text.
48

Principal Investigator: R. Elliott, Department of Metallurgy,

Illinois Institute of Technology Research Institute (now at the University of Cincinnati).

Properties Covered: Phase diagrams of metal and metalloid systems.

ProductA supplement to Hansen's book, which brings all the data

on binary systems up to date, has been published this fall by McGraw-{lill.

Next product covering ternary and higher systems is due in approximately

two years.

2. Phase Diagrams for Ceramists: This is a program sponsored by the

American Ceramic Society. The most recent publication is a compilation of

about 2000 phase diagrams.

Principal Investigators: E. M. Levin, C. R. Robbins and H. F. McMurdie,

Nati onal Bureau of Standards.

Properties Covered: Binary, Ternary, and higher phase diagrams on

salts and oxides of the conpounds of general interest to ceramists.

Product : Phase Diagrams for Ceramists , American Ceramic Society,

Columbus, Ohio, 1964.

StatusNew Edition is planned for calendar year 1967 or 1968.

3. Phase Relations of Groups I and II Halides: This is a compilation

of about 300 phase diagrams of groups I and II halides.

Principal Investigator: W. D. Robertson, Yale University, Department of Metallurgy

Properties Covered: Binary, Ternary and higher phcise relation of

groups I and II halides.

Product

Compilation of phase diagrams. Publication plans are uncertain at present.

METALS

A plan is being formulated for a broad interdisciplinary program in the

compilation of data pertinent to metals and metal systems. As presently en- visioned, the plan calls for the establishment of a coordinating group in

the Metallurgy Division at the National Bureau of Standards that will collate

data on metals (crystallographic, thermodynamic, metallurgical, mechanical,

solid state and chemical) to develop a sort of encyclopedia. The details of

this project and the exact nature of the product to be produced remain to be

worked out.

A. Projects Supported by OSRD

1 . Thermodynamic Properties of Liquid Metals and Liquid Oxides : The

program is directed to the critical compilation of the thermodynamic

properties of elements dissolved in liquid metals which have been reported

(
49

in the literature. An up-to-date, critically compiled tabulation of

such data is of fundamental value in the technologies of the extraction and refining of metals. Two of the most important examples are

the production of crude steel and the production, or recovery, of

uranium. The data are also important to the proper use of liquid

metals in heat exchange systems. In addition, the information is important to the scientist who is seeking a basic understanding of the

behavior and properties of liquid metals.

Principal Investigator : J. F. Elliott, Massachusetts Institute

of Technology

Properties Covered : Activities, activity coefficients, phase

relations, solubilities, partial molar quantities.

Product : No product as yet. A contract was initiated in July

1965. Product when issued will be a tabulation of critically evaluated

data.

Status : Bibliography is being compiled and data extracted from

pertinent papers. First data sheets to be available in July 1966.

Future Plans : This is a continuing project; literature revue and data compilation will continue.

B. Projects Supported by Other Agencies

1. Thermodynamic Properties of Metals and Alloys : This group compiles

data on all substances that conduct electricity electronically. Metals

and other alloys comprise the bulk of the data.

Principal Investigator : R. R. Hultgran, Department of Mineral

Technology, University of California, Berkeley, and part-time assistance

of K. K. Kelley also of the University of California.

Properties Covered : All standard thermodynamic functions, thermal

functions, vapor pressures, B. P., M. P., activities, activity coefficients, partial molar quantities.

Product: Selected Values of Thermodynamic Properties of Metals

and Alloys , John Wiley, 1965. This text is currently being revised.

Group also produces data sheets when appropriate and distributes them

free of charge.

Status: This project is funded by the AEC and is a continuing

proj ect

.

FUSED SALTS

A vast body of information exists in this field; however, there has been

only limited compilation activity. The Air Force has supported some work,

which though reasonably comprehensive, would probably not be regarded as standard reference data. The OSRD is attanpting to formulate an overall com- pilation program in this area.
50

1. Conductivities in Fused Salt Systems : This work is integrated with the

program of Hamer at the National Bureau of Standards for the compilation of

conductivities (and other properties) in aqueous, non-aqueous, and fused salt

systems

Principal Investigator : G. Janz, Rensselaer Polytechnic Institute

Properties Covered : Ionic conductivities

Product : Dr. Janz has already issued a preliminary document on the

thermodynamic and physical properties of fused salt systems. After further

evaluation, a compilation of critically evaluated conductivity data will be

issued.

Status: Literature is being reviewed and data evaluated.

Future Plans : This will be a continuing project and the literature

search will be maintained current.

2. Thermal Behavior of Inorganic Sa.lts : This project is concerned with data

for the thermodynamic properties of :fused salts from room temperature up to the

highest temperatures recorded for the different salts. The data permit one to

calculate the equilibrium constant for the decomposition of the salt at different temperatures.

Principal Investigator : K. Stem, National Bureau of Standards

Properties Covered : Equilibrium constant for the decomposition of all

products as a function of temp; Gibbs energy of formation for parent molecules

and products, decomposition pressures, densities, melting points, chemical

reactions involved in the decomposition, boiling point and some kinetic data.

Product : No product has been issued to date. The salts will be classified according to the anion (sulfates, carbonates, etc.). A compilation on

the sulfates will appear in FY66. All data have been coordinated with the

revisions to appear in the NBS volume on selected values of thermodynamic

properties. (Circular 500 Revised).

Status : A compilation covering sulfates has been completed and will be

published within the next four months.

Future Plans : Data on the carbonates will be compiled next, followed by

the halides.

TRANSPORT PROPERTIES

A number of projects on diffusion behavior and conductivities have already been mentioned in other categories. For program management purposes

it is considered relatively unimportant in which category any specific project is to be listed. The important matter is to be sure that the property

is not overlooked because of the assumption it is covered elsewhere.
51

1. Thermophysical Properties Research Center : This is unquestionably the

largest data center in the area of transport properties. The group is housed

in its o\>ni building constructed by Purdue University for this specific purpose. Until this year the activities of this group have been confined primarily to data compilation and preparation of bibliography. However, the

group is now in the process of establishing extensive research capabilities.

One of the important services any large well organized data group can perform

is to provide bibliography, and reprints of papers.

Principal Investigator : Y. S. Touloukian, Purdue University

Properties Covered : Thermal conductivity, specific heat, viscosity,

fluidity, emissivity, absorptivity, reflectivity, transmissivity (total and

spectral) diffusion coefficients, permeability, thermal diffusivity, Prandtl

number, surface tension, and density of solids.

Product: Retrieval Guide, compilation of critically evaluated data on

thermal conductivity of solids, liquids, gases. Bibliographies upon request;

question and answering service. Critical data compilation activity emphasizes

theimal conductivities. This will be expanded shortly.

Status : Continuing project funded largely by DOD, but has substantial

support from OSRD. The program also has limited support from other agencies.

Future Plans : Compilation capabilities on emmisivity are now being

developed. With the aid of Dr. Mikato of Kyota University, compilation on

selected heat capacities have been initiated which will permit some compilation capability on Prandtl numbers.
52

VII. QIEMICAL KINETICS

Compilation, evaluation and tabulation of numerical data in the field

of chemical kinetics presents a number of individual problems. By definition,

the system is changing in composition; the reaction mechanisms may be uncertain, or may change with temperature or other parameters; catalysts, walleffects and other local influences may be significant. Previous attempts to

present kinetic data in tabular form (e.g., NBS Circular 510, Tables of

Chemical Kinetics - Homogeneous Reactions , with two supplements, prepared under

the direction of N. Thon and Charles Stauffer) have found the difficulties

substantial.

The NAS-NRC Committee on the Kinetics of Chemical Reactions agreed to

act as the Advisory Panel to the National Standard Reference Data System for

Chemical Kinetics, and met in this capacity in January, 1964.

In summary, the Committee recognized the difficulties inherent in any

undertaking to evaluate and compile in tabular form the large amount of numerical data to be found in the literature on rates of chemical reaction. Unlike

the field of thermodynamics where it is possible to reduce data to an internally

consistent body of well-defined quantities, the experimental parameters of

chemical kinetics do not lend themselves to such unification. Insufficient

understanding of the effects of the many variables which must be specified in

the description of a single experiment preclude establishment of categoric

rules for the presentation of chemical kinetic data in all but relatively few

cases.

The committee recommended that the best approach to the compiling of the

data would be to divide chemical kinetics into areas and to assign each area to

a qualified specialist. Each would prepare a critical review of the area,

with emphasis on the quantitative aspects of that field. These reviews would

be published as a series of monographs. A list of approximately forty recognized specialists in the various fields of chemical kinetics was prepared.

The Chairman of the Committee agreed to develop a staff of scientists interested,

willing and available to undertake the reviews and preparation of monographs.

Availability of funds will require establisliment of priorities of topics to be

undertaken, and the Committee accepted the responsibility to review the proposals and recommend a priority schedule. Initial proposals would be submitted

to the Office of Standard Reference Data, National Bureau of Standards for

preliminary screening and then forwarded to the Committee for its review. Because

of the philosophy of separate specialized critical review monographs, the

Committee preferred not to develop a comprehensive list of properties, or a definition of the field.

The recommendations of the Committee have been followed by NBS staff

members in the OSRD and in the Division of Physical Chemistry. A substantial

number of proposals for monographs on specific topics have been submitted by

highly qualified scientists. The projects are being supported by contracts to

the extent that funds are available.

The ensuing is a list of projects now being activated:

1. Title of Project : Chemical Kinetics Information Center

Principal Investigator : David Garvin, Physical Chemistry Division, NBS

Washington, D.C.
S3

Technical Scope and Plan of 0;")eration : Tlic Center consists of articles

in the r,eneral tield ot chencal kinetics v;hicli are entered into a file with

an inverted index arranged accordinj? to various descriptive terms as well as by author, chemical compound, bibliographic reference and institution. Tlie

file can be searched by selection of appropriate descriptive terms. Tlie purpose

of the Center is to provide an extensive, and perhaps, eventual comprehensive

collection of literature for use in the production of critical reviews of data

in the kinetics field, and for other uses which m.ir^lit require tlic availability

of such an extensive collection. Die indexing system is exnected to provide

speed and flexibility in bibliographic searcliing over conventional storage and

indexing reclmiques. Tlie services of tlie Center will be offered to all contractors of the NSRDS who are preparing critical reviews in the kinetics field.

This Center is jointly supported by the Department of Defense Advanced

Research Projects Agency and by NBS-OSRD.

Current Status : Operational. Tlic Center is in an early operational

phase and has not yet acquired sufficient entries to have readied full operational status.

Products Issued or to be Issued : None contemplated at the present time.

Future Plans : Efforts will be made to bring the Center, as soon as possible, to a suitable size that meaningful tests can be made of the effectiveness and speed of the indexing system. Assistance will be offered to all con- tractors for critical reviews as their projects become operational.

2, Title of Project : Radiation Qiemistr)' Data Center

Principal Investigator : Milton Burton, Radiation Laboratory, Notre Dame

Technical Scope and Plan of Operation : Tlie r.ain objective of the Radiation

Chemistry Data Center is compilation of kinetic data from reactions induced by

ionizing radiation on chemical systems. Tlie data may be in the form of specific

rates of elementar>' processes or overall reactions; radiation diemical yields (G)

reported in molecules of product (or intermediate") per 100 ev. ; effects on physical properties, such as electrical resistance, viscosity, etc. Evaluation

and interpretation of such data will te done by experts in each of the pertinent

brandies of radiation chemistr>'.

A selected group of journals (including Cliemical Abstracts and Wiclear

Science Abstracts) is scanned regularly; each reference of interest is recorded

on a worksheet along with descriptors which classify the information. The

molecular formulas of reactants, products and intermediates are recorded on data sheets, which will include a description of the chemical system, irradiation

conditions, and the data reported.

The descriptors and molecular formulas will be stored by a suitable system.

Retrieval v.ill provide bibliographic information to answer inquiries and as an aid to preparing summaries of information and compilations of data for critical

review.

This project is supported jointly by the Atomic Energy Commission and OSRD.

AEC also supports associated experimental and theoretical research programs at

this location.
54

Current Status : Tlie current literature is bein^ covered by postdoctoral

research associates alon<i Kith tl\e Radiation niemistry Data Center staff. A

list of descriptors is to l)e developed. V.'ork has bejrun on a cnnpilation of

specific rates of processes in aqueous systens (e.f:,, reactions of tlie hydrated

electron, hydrogen atom or liydroxyl radical \nth various solutes). Papers

not covering this subject are being stock -pi led for indexing and for later

recording of the data tlierein.

Products Issued or to be Issued ; It is hoped to issue a critical review

of specific rates in aqueous systens in about a year, PuJUication plans will

be made with recognition of the ioint support of the project by ABC and OSRD.

Future Plans : Current papers on radiation chemistry vdll be indexed

and re ade r- comp i le rs will record the data for compilation and critical review

purposes. Arrangenrcnts are planned for investigators in other countries to

cover the literature in their native languages.

3. Title of Project : Ileavv'' IsotODe Effects

Principal Investigator ; Marvin J. Stem, Ycshiva University, N'ev; York City

?!ax v/olfsberg, Brookliaven National Laboratory

Jacob l^iegeleisen, Rrookhaven National Laboratory

Technical Scope : Tlie monograph will contain:

(1) A discussion of the theor)'' of kinetic isotope effects. Tliis discussion will be applicable to hydrogen isotope effects as well as to heav\''-

atom isotope effects although items of tlieory concerned almost exclusively with

hydrogen effects (e.g., quantum mechanical tunneling) will be discussed very

briefly.

(2) A discussion of experimental aspects of isotope effect studies,

(3) A tabulation and critical revioA^r of experimental work (including

theoretical interpretation) of lieavy-atom kinetic isotope effects in in vitro

chemical reactions.

Tlie follov/ing "fringe" subjects will not be included.

(1) Isotopic geochemistry (except for pure chemical studies included

in geochemistry papers).

(2) Isotope effects in living systems,

(3) Isotope effects in mass spectrometry and otlier electron- impact

processes.

(4) Isotope effects in electrochemical processes.

(5) Isotope effects in processes not involving chemical change (except

for rates of precipitation reactions).

(6) Isotope effects in radiation and liot-atom chemistry.

(7) Isotope effects due to selective excitation of isotopes rather
55

than on the reaction process itself.

(8) Isotope effects in diffusion-controlled processes.

The approach to these topics will emphasize both the general scientific

interest and the specific concern of atomic energy researdi scientists. Such

emphasis is esnecially appropriate in view of the joint support of the project

by AEC and OSRD.

Products to be Issued : The monograph being prepared will be issued

through NliS, probably as one of the NSRDS-NBS series. Additional distribution

through the Atomic Energy Commission channels will be considered.

Current Status : The literature searcli for articles related to a critical

review monograph on heavy-atom isotope effects is now complete through late

1964, Final completion must await tlie publication of the vlune, 1965, index

to Chemical Abstracts. Approximately 600 pertinent articles have been collected

and cataloged. Extraction of information from these articles is now underway.

Future Plans : The following recommendations regarding the inclusion of

items 1-8 above in future monographs are made, with the recognition that tliey

should be covered in later projects:

Items 1 and 2 should be included in separate monographs, although it is

questionable if such monographs belong in a kinetics series. Items 3 and 4

together should be the subject of a separate monograph. Items 5,6, and 8 should be included in monographs covering the general subjects. Item 7 should

probably be included in a monograph on isotope separation and enrichment (not

part of a kinetics series)

,

The extensive subject of liydrogen kinetic isotope effects can conveniently

be subdivided as follo^vs:

1. Primary hydrogen isotope effects

2. Secondary hydrogen isotope effects

3. Solvent hydrogen isotope effects,

4, Title of Project : A Critical Monograph on Quantitative Kinetic Data

in the Field of Unimolecular Reactions

Principal Investigator : Sidney W, Benson, Stanford Research Institute

Technical Scope and Plan q^ Operation : Plans are to summarize and review

all of the kinetic data on unimolecular, gas phase reactions available in the

scientific literature up to and including 1 November 1965, The data will be

critically examined to estimate reliability of the work and limits of error

on the rate constants and their Arrhenius parameters, i,e,, the temperature

dependence of the rate constant. Also to be examined are data from the point

of view of self- cons istancy by using thermochemical data and data on the

inverse association reactions.

Current Status : The project is still in the stage of compilation of data

and establishing ground rules for categorizing and describing it. This phase

of the work is nearly completed.
56

Products Issued or to be Issued : None yet. Final product will be a dotal le3~cHTicaT~revievri Publication arrangements are not yet settled.

5. Title of Project : Tables of Kinetics of Homogeneous Gas Reactions

Principal Investigator : A. F. Trotman-Dickinson, Edward Davis Chemical

Laboratory, Aberystwyth, U.K.

Technical Scope : This monograph is concerned with the preparation of

complete critical tables of data on the kinetics of all gas reactions for which

suitable information is available. Many gas reactions do not occur simply as they are written in a conventional chemical formula. They take place in a series

of steps known as elementary reactions. The same elementary reactions may be

common to a large number of different reaction systems. Because of their fundamental nature, elementary reactions \vill be the concern of the tables, and will

be the basis for the tabular portion of it. The text will also contain critical

assessment and commentary on the numerical data.

Products Issued or to be Issued : This monograph will be issued as a report in the NSRDS-NBS series.

Current Status : A card index has been prepared of some 2,000 references

culled from reviews. This bibliography forms the basis for the critical

assessment.

Future Plans : A comprehensive survey and selection of the appropriate

data on elementary reactions and the tabulation of the data is now underway.

It is expected that the review will be complete by the end of the summer of 1966.

6. Title of Project : Solvent Effects in Solution Kinetics

Principal Investigator : G. C. Akerlof, Princeton, New Jersey

Technical Scope : A selected compilation of tabular data is being prepared

on the topic of solvent effects in solution kinetics, with particular attention

to organic solvent systems. A complete bibliographic survey has been prepared and

selected tables extracted from the references. Accompanying the numerical information will be a synopsis and summary of the state of quantitative knowledge in

each of the specific subtopics covered by the review, with appropriate commen- tary on limitations of applicability of the numerical data.

Products Issued : The compilation and bibliography will probably be issued

through NRS and GPO channels

Current Status : More than 5,000 references have been studied and tables

of the most reliable data have been extracted therefrom. A draft manuscript

is being prepared, and with the exhaustive bibliography there will be probably

over 1,000 pages of material.

Future Plans: The literature on solution kinetics is very extensive, and

the monograph will contain a great deal of quantitative information. Since the

volume of data is so large, it may prove desirable to have additional critical

analysis made of certain subtopics within this field. If so, the present mono- graph will form a valuable starting place.
57

7. Title of Project ! Bibliography of Small MDlecules Gas Phase Reactions

Principal Investigator! A. Hodistim, Institute for Defense Aialyses

l^^hington, D.C.

Technical Scope : IMs project is not a part of the series of critical

review monographs described above, nor is it directly supported by the National

Standard Reference Data 57stem. It was the p'Jipose of this work to provide a

conqDrehensive bibliography of gas phase reactions of atoms, and molecules, con- taining not more than five atoms, as a basis for further analysis and critical

review. The work was supported by the Department of Defense Mvanced Research

Projects Agenqy under contract with the Institute for Defense Aialysis. Since

the work is bibliographic rather than critical in nature, the technical scope

is limited to a careful itemization of the reaction, the reaction conditions

and appropriate reference material.

Products to be Issued: This bibliogr^hy is based on more than 6,000

references and contains over 10,000 index items. It will be issued as a re- production of conputer tape printout. It may also be available in the form

of duplicates of the conqjuter tape.

Current Status ! The computer tape is now being checked for errors and

the errors are being corrected. Publication is scheduled for mid 1966.

Future Plans! The sponsor of this project, the Advanced Research Projects

Agenqy, has arranged to have this bibliographic collection taken over and maintained by the Chemical HLnetics Information Center at the National Bureau of

Standards, and is supplying funds to NBS for this purpose. It will be used

as source material for authors of critical review monographs in the Chemical

Kinetics series.
58

SUPPLEMENT TO STATUS REPORT, NSRDS

CHEMICAL KINETICS CONTRACTS

8. Title of Project : Uydrogenation of Ethylene on Metallic Catalysts

Principal Investigator : Juro Horiuti, Research Institute for Catalysis,

Hokkaido University, Sapporo, Japan

Technical Scope : The hydrogenation of ethylene on metallic catalysts

is more thoroughly understood than almost any other gas phase reaction

involving a solid catalyst. Both on the basis of theory and with regard to

the sophistication of experimental measurements, this system is a prototype

for data compilation activities in this general area. The principal investigator will present all available "raw data"on the hydrogenation process by

diagrams insofar as the accuracy of the primary data is thus sufficiently

reproduced. This will include, besides the rate of the liydrogenat ion itself

as a function of partial pressures and temperatures, the rates of parahydrogen

conversion, H-, D--equilibration and formation of different deuteroethylenes

and deuteroetnanes respectively associated with the hydrogenation in question,

inclusive of deuteration and the reproducibility of these rate measurements.

Second, he will critically review these observations with regard especially to

the reproducibility; the usual procedure of referring the observed rate at a specified condition to that subsequently determined at a "standard" condition

to reduce the poisoned rate to unpoisoned one is not secured, since the poison

may affect the. rate law as well. Third, he will present the mechanisms hitherto

proposed and decide mechanism or mechanisms which fits in with the experimental

results critically warranted in the second step mentioned above.

It is recognized that, even with these precautions the subject of this

monograph presents serious problems regarding its suitability for providing

Standard Reference Data. The decision to support this project was made after

obtaining advice on its potential usefulness from representatives of academic

and industrial scientists who are concerned with this field.

Products Issued or to be Issued : This monograph will be issued as

a report in the NSRDS-NBS Series.

Current Status : This project was authorized in November of 1965. The

survey is m its initial stages at present and full work will not start until

the summer of 1966.

Future Plans: When this monograph has been completed it will be

studied in the determination of plans in the selection of other projects in the

review monograph series.
59

Supplement to Status Report, NSRDS (Cont'd)

Chemical Kinetics Contracts

9. Title of Project : The Reactions of Nitrogen, Oxygen and Oxides

of Nitrogen.

Principal Investigator : Prof. Harold S. Johnston, University of

California, Berkeley, Calif.

Teclmical Scope : Tlie principal investigator will prepare a critical

review of all the reactions involving nitrogen and oxygen of five atoms or

less, with emphasis on neutral species. In making tlie review, he will draw on

the bibliographic resources of the Chemical Kinetics Data Center at the XBS,

which will provide him with access to the bibliography of small molecule gas

phase reactions, prepared imder the direction of Dr. A. llochstim of the

Institute of Defense Analyses.

Products Issued or to be Issued : Since this project is being supported

by Nl^S with funds made available from the Advanced Research Projects Agency,

the principal investigator will prepare a preliminary report summarizing in a general way the state of quantitative knowledge in the subject indicated without detailed attention to a critical analysis of the data themselves. In

addition lie will provide a final report and bibliography which will be issued

as part of the NSRDS-NBS Series.

Current Status : Active work on this project is expected to begin

in April 1966 and should be completed by October 1966.

Future Plans : The principal investigator has indicated that following

the completion of the present volume, he will use his experience gained in the

first stages of the work to determine tHfe desirability of extending the

coverage to include molecules of more than five atoms. This project would be

supported separately.

10. Title of Project : Elementary Reactions of the Hydroxyl Radical.

Principal Investigator : Prof. Leon K. Itorfman, Ohio State University,

Columbus, Ohio

Technical Scope : Modern investigative techniques, including electron

spin resonance spectroscopy and pulse radiolysis are capable of generating

reliable data on hydroxyl reactions in sufficient quantity to justify a critical review of all such reactions. Reactions will be reviewed according

to the following classification system:

1. Organic addition reactions

2. Hydrogen abstraction reactions

3. Charge transfer reactions

4. Radical -radical reactions

5. Reactions of

Special attention will be given to the following points:
60

1. Critical appraisal of the reliability of tlie identity of the

elementary reactions.

2. Careful evaluation of the level of confidence of the numerical

values for each rate constant.

3. Clear-cut distinction between absolute and relative rate constants.

Products Issued or to be Issued : The compilation and bibliography will be

issued as a monograph in the NSRDS-NBS Series.

Current Status : Work on this project has not yet begun. It is estimated

that the formal compilation and writing would be started in 1966 and completed

in 1967.
I

61

VTII. COLLOID and SURFACE PROPERTIES

Late in 1961 a Committee on Colloid and Surface Cliemistry was created

within *he National Academy of Science- -National Research Coimcil. Qiair- man of this Committee is Dr. A. C. Zettlemoycr, Lehir:h University. The

Committee is the national analojr of the Commission on Colloid and Surface

Chemistry of the International Union of Pure and Applied Qienistry. Chairman

of this Commission in lUPAC is Sir Eric Rideal, and its Secretary Dr. W. A,

Zisman, U. S. Naval Research Laboratory.

In the fall of 1962 a subcommittee of tlie NAS-NRC Committee was organized

to initiate a critical data compilation program in the fields of colloid and

surface chemistry. This subcommittee consists of Dr. H. van Olphen, Chairman,

and Dr. T. F. Young and Dr. B. Roger Ray, members. The subcommittee was intended to cooperate closely with the Office of Critical Tables of the National

Academy of Science, and when the National Standard Reference Data Pro'^ram was

initiated at the National Bureau of Standards , collaboration with the Program

was also established. The subcommittee keeps the Office of Standard Reference

Data at NBS informed about the progress on the various proiects \\^hich haA'e been

initiated and it makes suggestions for the establishment of contracturnl arrangements bet^veen NBS and data compilation groups whenever needs for financial

support exist.

On the basis of the replies to a questionnaire which was circulated among

the- members of the NAS-NRC Committee and a ninnber of other experts in the U. S,

and abroad, the following course of action was decided upon: The rigorous

standards adhered to in most of the original Critical Tables were also adopted

for the present program. About a dozen topics v,)sre selected for further consideration. The selection was primarily guided by the criteria of usefulness of

compilations to the scientific and industrial community, and of the availability

of significant data in the literature. In the future, the nrogram may be ex- tended to other topics if the need arises.

The actual work was organized as follows: For each topic a well kno^vn

expert in the particular field was invited to act as proiect coordinator. Ife assumes the responsibility for the final compilation. He selects a number of

experts to perform the actual compilation work with the assistance of student

and nonprofessional help. For reasons of administrative expediency, proiect

coordinators have been selected from groups of scientists residing in the U, S.

with one exception. In order to obtain optimum results expert collaborators

have been partly selected from the international scientific community for some of the projects. The Chairman of the NAS-NRS subcommittee coordinates the

efforts of the various proiect groups, and maintains the liaison with NSPDS

and with the Office of Critical Tables.

A. Colloidal Systems

1. Light Scattering . Clarkson College of Technology has established a critical data center for the purpose of collecting and evaluating data produced

in the area of light scattering.

Title of Proiect : Critical Data Center - Light Scattering

Principal Investigator ; Milton Kerker, Clarkson College of Technology,

Potsdam, New York
62

Technical Scope and Plan of Operation : The experimental areas which

the Clarkson Center is considering are:

1

Liquids

2. Solutions including macromolecular, polyelectrlyte, miceller,

polyanionic, electrolytes, etc. solution. Both internal interference effects

due to finite particle size and those interference effects due to ordering of

the particles by interparticle interactions will be considered.

3. Colloidal dispersions including both systems prepared in the

laboratory as well as naturally occurring dispersions such as clouds, dust,

smoke, milk, etc. In addition to the usual interest in particle size effects,

attention will also be directed to absorption effects (colored metal sols) and

refraction effects.

The computational and theoretical areas which the Clarkson Center is

considering are:

1. Boundary value solutions for particles with spherical and

cylindrical symmetry.

2. Rayleigh-Gans solutions for various configurations and structures.

The work on computational and theoretical results would consist of listings

of published calculations, not the calculations themselves. Also, there would

be compilations of useful formulas. A major area of concern will be listings of

computer centers having suitable programs available and possibly critical evaluation of programs as well as publications of selected programs. The center would

also arrange to produce selected computations upon request.

The center operates by carrying out systematic literature searches in the

usual way.

The final products of this center will consist of the following:

1. Tables of data, critically annotated.

2. Critical evaluations of experimental procedures, especially

calibration procedures and correction factors.

3. Tables of useful formulas.

4. Selected critical bibliographies, critically annotated.

5. Critical reviews of specialized topics.

6. Computer programs.

7. Listings of published tabulations of theoretical functions.

Current Status: A critical evaluation of Rayleigh Ratios and polarization

values of liquids is in progress.
63

Products Issued or to be Issued : A report of the above work will be issued

within the year.

Future Plans: Continuance along lines outlined.

2. Precipitation Kinetics .

Principal Investigator : Victor K. LaMer, Columbia University

Current Status : Not active as yet.

3. Critical Micelle Concentration nata on Association Colloids . A large

class of solutions presents the peculiarity that at low concentrations, their

behavior is essentially ideal whereas above a relatively sharply defined concen- tration large colloidal aggregates called micelles are present. This concentration is called the critical micelle concentration.

The critical micelle concentration or cmc is a measure of the balance

between the hydrophilic tendencies of the particle which tend to keep it dispersed and the hydrophobic tendencies which tend to hold it at the surface or interface and to make it aggregate into micelles. It can vary greatly with the

structure of the compound and can be readily determined by a number of methods,

several of them quite widely applicable and reasonably concordant. In practice,

the values cover a range of about four decades and can be determined to a percent

or so. They are sensitive not only to the structure of the compound but also to

the solvent used -- salts, organic additives, cosolvents, impurities --to the

temperature and pressure although the latter is of lesser general importance.

The cmc is therefore used to characterize the compounds as a criterion of

their purity and identity, as a guide to their practical applications and as a tool in the study of interparticle forces. It also plays the same role in the

study of properties of micelles as infinite dilution plays in the study of

polymers since at the one the interaction between micelles vanishes although

the concentration of the compound is finite.

Thousands of values of cmc for hundreds of compounds are scattered through

the literature. Some were obtained in basic physical -chemical studies, others

in connection with applications in industry (detergents, polymers, emulsions,

paints, petroleum production, pharmaceuticals, etc.) or in science (analysis,

biology, pharmacology, kinetics, etc.). Some are precisely and accurately

determined on pure compounds and others are less precise or accurate and involve

materials of questionable purity and some are only upper or lower limits or may

involve commercial mixtures.

Title of Project : Critical Micelle Concentration Data Group

Principal Investigator : Karol J. Mysels, University of Southern California,

Los Angeles, Calif.

Technical Scope : To collect the available data, to make them easily

accessible for searching from a variety of viewpoints, to evaluate and classify

them as to reliability and to make the results readily available to others and

easy to keep up to date.

Current Status: In the process of abstracting and evaluating the informa-
04

tion on hand, and placing it on IBM cards. At the same time we continue to

collect the literature as additional references come to our attention.

Future Plans : To complete this stage, to proceed to the selection of

evaluated values for final presentation and then to keep the work up to date.

4. Surface Tensions of Solutions of Association Colloids .

Principal Investigator : C. R. Singleterry, IJ. S. Naval Research Laboratory

Technical Scope : Surface tension data on solutions of association colloids

(conventional soaps and synthetic detergents, as well as certain dyes) will be

collected. Effects of temperature, and of the presence of a third component

(electrolytes) will be considered, as well as the dependence of the surface

tension on the concentration. The latter constitutes a method for the determination of the critical micelle concentration (cmc) in these solutions from a discontinuity in the surface tension-concentration curves. Therefore, close

contact with the compilation work on cmc data in Dr. K. Ntysels' project will be

maintained. At the same time there will be coordination with Dr. Young's project on surface tensions of one component systems in order to guarantee uniformity

of treatment.

Current Status : In the stage of literature retrieval.

B. Properties of Surfaces and Interfaces

1. Title of Project : Surface Tensions of Liquids, Contact Angles at

Interfaces

Principal Investigator : T. Fraser Young, Argonne National Laboratory;

Collaborators : II. M. Feder, Argonne National Laboratory, G. Janz,

Rensselaer Polytechnic Institute, J. J. Jasper, Wayne State University

Technical Scope : Essentially the same as that of the group of extensive

tables in the original International Critical Tables. (Volume IV, pp. 434-475)

The present updating efforts are as follows:

a) Tensile strength and angle of contact.

b) Methods of measuring surface tension.

c) Interfacial tension for solid-liquid and liquid-liquid interfaces.

d) Surface tension of metals.

e) Surface tension and related properties for temperatures below 0°C.

Surface tension of fused salts above 200°C and liquids above 360°C.

Surface tension data for certain pure liquids between and StO^C

and for all types of solutions at all temperatures.

2. Title of Project : Data on Physical Adsorption of Gases on Solids

Principal Investigator : S. Brunauer, Clarkson College of Technology

Current Status : In process of activation.

3. Title of Project : Data on Chemisorption

Principal Investigator : None assigned yet.
65

Current Status : Discussion session recently held at NBS.

Future Plans ; To be activated.

4. Title of Project : Solid- liquid inter-<^aces-heat of wettinj^.

Principal Tnyesti^ator : A. C. Zettlernoyer, I^hio;h University

Collaborators : Dr. Boucher, Lehifih University

D. W, Fuerstenau, IJniversit)'' of California, Berkeley

G, D. Parfitt, University of Nottinphan, Vn^.lrmd

P. A. Pethica, Unilever, Ftnpland

J. Taylor, Unilever, England

Technical Scope : A modest ariount of data on heats of adsorption and of

wetting of solids oy liquids were coinpiled in the International Critical

Tables by H. R. Kruyt and J. G. Moddennan (Volune V, pp. 13P-l'i'^). Only

two pages of this chapter deal with heats of ^^ettinp. A conprehensive survey

of the literature on heats of wetting data is planned by the present jrroup.

TTie retrieval work is divided between the collaborators on the basis of

country of origin of the literature.

Current Status : In the star;e of literature retrieval.

5. Title of Project : Electrical Properties of Interfaces.

Principal Investigator ; J. Lyklema, Agricultural Ifriiversity of V/ageningen,

Netherlands

Collaborators

B. H. Bijsterbosch, Wageningen, Netherlands

R. H. Ottewill, Bristol, England

R. n. Parsons, Bristol, England

Prof. A. Watillon, Brussels, Belgium

A. Watanabe, Osaka, Janan

(Russian cooperation is being studied.)

Technical Scope : The project is concerned with the collection and critical

evaluation of data on the electrical properties of interfaces fviz: double

layer charge, double layer capacity, electrocapillary curves, electrokinetics,

surface conductance)

.

Plan of Operation ; First stage: non-critical compilation of literature

references that might contain useful data (Screening in width). Second stage;

slightly more critical screening of the retrieved literature (Screeninr in

width with more depth). Third stage: final critical evaluation of data (screening in depth). Fourth stage: assembling of the collected critically evaluated

data for print. During the course of the work six semi-annual reports will be

delivered. The final report can be expected in April 196^. " Current Status ; The first stage is now nearly completed. The first semiannual report is in course of preparation. " Products to be issued and future plans ; Second semi-annual report, due

April 1966 will contain references witn a high degree of completeness and a "grading" as to the quality jind/or other relevant properties of the material.

The third and following reports will contain only limited amounts of material

but with a full critical evaluation. This critical evaluation is expected to
66

be coirpleted with the sixth semi-annual report, in April 1966.

6. Title of Project : Properties of monolayers on liquid surfaces and

interfaces"!

Principal Investigator ; H. E. Ries, Jr., American Oil Company

Technical Scope ; The desired scope is still under discussion. One group

of experts feels that in most of the published work purity of the materials

used is questionable and that only very few data exist which can stand critical

evaluation. They propose to prepare a brief critical review of techniques and sources of uncertainty, top^ether with data on the one or two comnounds which

can be safely used for calibration purooses of instruments. Another proup,

however, feels that in spite of this situation, there is much useful information

in the literature worth compiling. Such information may consist of pressure- area behavior of monomolecular layers, effect of the substrate, and potential

measurements on spread monolayers.

7. Title of Project ; Mass Transport throu.c^h Surface Films.

Principal Investigator ; V. K, LaMer, Columbia University

Present Status; Not activated as yet.
67

IX. MEQIANICAL PROPERTIES

In this area there has been a preliminary examination ])y an internal

NRS panel of the important properties to be considered for possible conpilation projects. Tlie purpose was to prepare workinfi papers for review and

recommendations by a panel of specialists broadly representative of the

governmental, industrial, and academic technical communities.

The NBS panel ai^reed on the need for critically evaluated data on the

mechanical properties of materials, althoun^h there was also clear recognition

of the fact that some areas of the field were not well enough advanced, either

theoretically or experimentally, to warrant tlieir inclusion within tiic present

guidelines of the NSRDS.

TJie question of how far one could or should go toward including engineering materials or engineering ty]Te data in tlie Standard Reference Data Center

was discussed. It was concluded that simple categorical statei^ients on tliis

point were out of order. It seems necessary to consider separately each

material/property combination wliicli is proposed for inclusion in the Center.

The structure of the material must be characterizable explicitly or operationally, by specifying its composition and previous history, sufficiently well so that the value ascribed to the property can be reproduced by another investigator. This factor also implies tliat the measurement technique is itself easily

and significantly characterizable. Tlie reason for considering both the material

and the property together before making a decision is that a degree of characterization of a particular substance which is adequate for its elastic properties may be totally inadequate for the specification of many aspects of its

plastic behavior. This is true even for a single crystal of a pure element.

In order to consider the v/hole field of mechanical properties in an orderly manner, a material/property matrix was developed, ftembers of tlie

committee with special knowledge in the specific fields blocked out in the

matrix then gave detailed consideration to the blocks of the matrix and prepared reports describing:

1. The properties of types of data which are of primary importance

in the field and which are sufficiently well understood and measureable so that

a critical evaluation of the data can be made;

2. Tlie most suitable form for presentation of the data (i.e., tables,

graphs, review articles, etc.);

3. Suggestions of individuals who are experts in each field and who

might be called on to participate in the program.

IVhere the methodology of measurement greatly affects the value ascribed to

a property, and this is true primarily in the field of plastic behavior, it

seemed appropriate to present the data in the form of a review (i.e., the hard- ness of the solid elements) rather than as tabulated data. It was suggested

that the reviews could follow a common format covering at least certain specific

properties deemed to be basic. This approach may well be the best way to handle

plastic deformation data. IVhen all of the reviews are in, it mig^t then be

possible to make up useful and significant tables of data on some specific

property for all of the elements.
68

As a start, one should probably consider only the nominally pure

elements. As tine goes on, binary systems of particular scientific or technological importance, that is, certain oxides or alloys or simple compounds

can then be included. Here, too, however, one needs to bear in mind the

material/property combination rather than just the material or the property,

At a convenient date in Pf66, it is planned to discuss the above views

\vith an advisory panel on mechanical properties and then to plan an action

program, if any is recommended.
69

APPENDIX A

Advisoiy Panels of the

Office of Standard Reference Data

I Nuclear Data Projects

Dr. Henry H. Barschall, University of Wisconsin

Dr. E. Richard Cohen, North American Aviation, Inc.

Dr. Joseph L. Fowler, Oak Ridge National Laboratory

Dr. William A. Fowler, California Institute of Teclmology

Dr. Gertrude S. Goldhaber, Brookhaven National Laboratory

Dr. Harry E. Gove, University of Rochester

Dr. William W. Havens, Columbia University

Dr. H. W. Koch, National Bureau of Standards

Dr. George A. Kolstad, Atomic Energy Commission

Dr. Carl 0. Muehlhause, National Bureau of Standards

Dr. I. Perlman, Lawrence Radiation Laboratory

Dr. Richard F. Taschek, Los Alamos Scientific Laboratory

Dr. Ira Zartman, Atomic Energy Commission

II Atomic and Molecular Properties

Dr. W. R. Bennett, Yale University

Dr. L. M. Branscomb, National Bureau of Standards

Dr. E. U. Condon, University of Colorado, Chairman

Dr. Paul Cross, Mellon Institute

Dr. R. H. Garstang, University of Colorado

Dr. L. F. Johnson, Varian Associates

Dr. Aron Kuppermann, University of Illinois

Dr. E. R. Lippincott, University of Maryland

Dr. Allen Lurio, International Business Machines

Dr. D. P. Stevenson, Shell Development Company

Dr. Brian Whybome, Argonne National Laboratories

Dr. Richard Zare, University of Colorado

III Solid State

Dr. J. H. Crawford, Oak Ridge National Laboratory, Chairman

Dr. Simon Foner, Massachusetts Institute of Technology

Dr. H. P. R. Frederikse, National Bureau of Standards

Dr. Walter Hibbard, General Electric Company

Dr. John Hulm, Westinghouse Electric Corporation

Dr. David Lazarus, University of Illinois

Dr. D. K. Stevens, Atomic Energy Commission

Dr. M. Tanenbaum, Western Electric Company

Dr. Robert Terhune, Ford Motor Company

Dr. David Tumbull, Harvard University

Dr. George Vineyard, Brookhaven National Laboratory

Dr. Ferd Williams, University of Delaware
70

IV Thermodynamics and Transport Properties

Dr. Charles W. Beckett, National Bureau of Standards

Professor L. N. Canjar, Carnegie Institute of Technology

Dr. R. E. Duff, Lawrence Radiation Laboratory

Dr. Leo Friend, M. W. Kellogg Company

Professor Joseph Kestin, Brown University

Dr. Joseph F. Masi, Air Force Office of Scientific Research

Dr. John P. McCul lough, Socony Mobil Oil Company

Dr. Richard A. Oriani, U. S. Steel Corporation

Professor Bruce Sage, California Institute of Technology

Dr. Frederick D. Rossini, University of Notre Dame, Chaiiman

Dr. Fred Schulman, National Aeronautics Space Administration

Dr. A. R. Van Dyken, Atomic Energy Commission

Dr. Guy Waddington, National Academy of Sciences-National Research Council

Dr. Thomas J. Webb, Merck, Sharpe and Dohme

' Professor Edgar F. Westrum, Jr., University of Michigan

Dr. Bruno J. Zwolinski, Texas A 5 M University

V Chemical Kinetics

Dr. S. H. Bauer, Cornell University

Dr. Jacob Bigeleisen, Brookhaven National Laboratory

Dr. Milton Burton, University of Notre Dame

Dr. Henry Eyring, University of Utah, Chainnan

Dr. J. 0. Hirschfelder, University of Wisconsin

Dr. Harold S. Johnston, University of California

Dr. Martin Kilpatrick, Argonne National Laboratories

Dr. Richard M. Noyes, University of Oregon

Dr. Charles N. Satterfield, Massachusetts Institute of Technology

Dr. Merrill B. Wallenstein, National Bureau of Standards

VI Colloid and Surface Properties

Dr. Stephen Brunauer, Clarkson College of Technology

Dr. H. Heineman, M. W. Kellogg Company

Dr. Victor K. LaMer, Columbia University

Dr. Franklin S. Long, Cornell University

Dr. H. van Olphen, Shell Developnent Company

Dr. B. Roger Ray, Washington State College

Dr. T. F. Young, Argonne National Laboratories

Dr. A. C. Zettlemoyer, Lehigh University, Chairman

Dr. William A. Zisman, U. S. Naval Research Laboratory

Mr. Martin Paul, National Academy of Sciences -National Research Council

VII Mechanical Properties

Dr. W. Haller, National Bureau of Standards

Mr. L. K. Irwin, National Bureau of Standards

Dr. L. K. Kushner, National Bureau of Standards

Mr. P. Macedo, National Bureau of Standards

Dr. R. S. Marvin, National Bureau of Standards

Dr. M. R. Meyerson, National Ikireau of Standards

Dr. E. Passaglia, National Bureau of Standards

Dr. A. W. Ruff, Jr., National Bureau of Standards

Dr. J. B. Wachtman, National Bureau of Standards
71

APPENDIX B

Property Lists

IB List of Properties in Nuclear Data

Energy levels

Total angular momentum quantum number

Orbital angular momentum quantum number

Transition probability

Integral conversion coefficient

Particle energy

Beta energy

GajTBTia energy

Electric quadrupole moment

Magnetic dipole

Magnetic octupole

Reaction energy

Half- life (mean life)

Level width

Nuclear level density

Angular correlation function

Number of neutrons per fission

Parity resonance integral

Cross section: scattering, absorption, total charge particle reaction

Fission product yield

I IB Atomic and Molecular Properties

Kl hundamental constants and properties

n Fundamental constants

2. Atomic and nuclidic masses

3. Atomic radii

B. Atomic energy levels

T. Energy levels , including Lande g- factors

2. Ionization potentials and electron affinities

C. Atomic spectral data

T. Emission spectral lines and intensities

2. Absorption spectra-wavelengths and line shapes

3. Absorption coefficients including photo ionization

4. Oscillator strengths (f values)

5. Laser emission lines (atomic and molecular)

6. Multiplet wavelengths, intensities, excitation potentials

7. Hyperfine constants

8. Names effects - Stark, etc.

D. Atomic and molecular X-ray spectral data

n Characteristic wavelengths and emission intensities

2. Absorption spectra and critical potentials

E. Atomic and molecular collision data

E Heavy particle - heavy particle interactions; ionic reaction rates

2. Electron - heavy particle interactions

3. Field- induced phenomena

4. Particle penetration through matter

F. Particle-surface interactions

G. Plasma properties

T, Electronic and ionic transport phenomena
72

2. Line profile data- Stark broadening

3. Plasma resonance data

4. Recombination coefficients (review recoimiended)

5. Free- free absorption coefficients and capacities

6. Collision frequencies

7. Gaseous electronics

8. Plasma partition functions

H. Direct spectral data

T^ Infrared spectra

2. Microwave spectra

3. Atlas of electronic spectra

4. Visible and UV absorption spectra including vacuum UV

5. Luminescence and related spectral data

6. fWR spectra

a. High resolution

b. Broad line

7. ESR spectra (organic and free radicals, gases)

8. Mass spectra

a. Molecular masses

9. Raman spectra

10. Optical rotatory dispersion and circular dichroism

I. Information on molecular energy levels derived from spectral dataDiatomic molecules

Y, A single table (similar to Herzberg) giving electronic levels and

symmetries, vibrational constants, rotational constants, coupling

constants, dissociation energies.

2. Diatomic potential curves for all known electronic states

J. Information on molecular energy levels derived from spectral data - Polyatomic molecules

1. Electronic energy levels

2. Vibrational fundamentals and vibrational levels

3. Force constants

4. Rotational constants

5. Chemical shifts and spin- spin coupling constants (to be combined

with M^ spectra)

6. Miscellaneous magnetic coupling constants, g-factors, etc.

7. Ionization potentials, electron affinities, appearance potentials

K. Other well defined properties of atoms and molecules

Y, Refractive index (spectral response)

2. Dielectric constants

3. Dipole moments (and higher moments)

4. Atomic and molecular polarizability

5. Magnetic susceptibility

(Critical review recommended to define the state of understanding and

utility of additivity features of the above properties)

6. Interatomic distances and angles

7. Barriers to internal rotation

8. Non- linear optics

9. Kerr constants, Faraday effect data, etc.

L. Transition probabilities

Y. Electronic f values

2. Photo-dissociation and radiative association, photo- ionization,

photo- detachment rates; ionization efficiency curves

3. Virbrational overlap integrals (to be handled with I I and 2)
73

M. Descriptive chemical and analytical data

ri Gas chromatographic values

2. Pyrolysis patterns

3. Differential thermal analysis data

N. Non-observable computed functions

0. Interatomic and intermolecular forces

IIIB Solid State

X^. Optical Properties

i. Spectroscopy of electronic systems

Color centers

Paramagnetic ions

Absorption spectra of imperfection in semi-conductors

I.R. spectra

2. Electronic energy gaps

Fundamental absorption edges

B. Electrical Properties

T^ Resistivity

2. Superconductivity

C. Magnetic Properties

Y. Magnetic heat capacities

2. Saturation moment

3. Anisotropy

4. Magnete striction

5. Magnetic transitions

6. Internal field (NMR spec.)

a. Gyromagnetic ratio

b. Hyperfine interaction

c. Knight shift

d. Chemical shift

D. Mechanical Properties

Y. Phonon spectra

a. Lattice vibrations

2. Acoustical properties

E. Thermal

Y. Densities

a. Equation of state

b

.

Measurement

c. High pressure equation of state

2. Higher order transitions

3. Distribution coefficient

4. Heat capacity

a. Electronic

5. Thermal conductivity
74

IV B Thermodynamic and Transport Properties

Y. All standard thermodynamic quantities and functions

H, U, S, A, Cp, Cv, Cs, G** - H**, 11 - Ho**, H^ - Ho*

T T

2. Heats of:

a. Adsorption h. Mixing

b. Combustion i. Solution

c. Dilution Integral

d. Dissociation Differential

e. Formation j. Sublimation

f. Fusion k. Transition

g. Ionization 1. Vaporization

3. Electron affinity

4. Equilibrium constant

Chemical equilibrium constant

Decomposition

Ionization constants

Solubility product

Stability constants for complex ions

5. Partial molar quantities

6. Apparent molar quantitities

7. Activities

Activity coefficients

Aqueous

Non- aqueous

Fused Salts

8. Solubilities

Organic

Inorganic

Metals

9. Distribution coefficient

10. Emf Data

Standard cell potentials

Transference numbers

Mobilities

Junction potentials

Hydration numbers

Conductivities

11. PVT Data (General)

Critical constants

Critical data

Density

Equations of state

Fugacities

Joule-Thompson coefficients

Inversion temperatures

Lennard-Jones potentials

Velocity of sound

Virial coefficients

Partition functions

Compressibilities

12. Coefficients of expansion

13. Surface energies
75

14. Lattice energies

15. Croscopic constants

16. Phase relations

Solid - solid

Solid - vapor

Solid - liquid

Vapor - liquid

Liquid - Liquid

17. Membrane equilibria

18. Polarographic half-wave potentials

19. Osmotic coefficients

20. Viscosity

21. Density

22. Boiling points

23. Melting points

V B Colloid and Surface Properties

7L Colloidal systems"

TT Lyophobic colloids

a. Formation of sols: Precipitation kinetics, nucleaton and

crystal growth

b. Aging sols

c. Particle size and shape

d. Colloidal stability: flocculation values, flocculation

kinetics, gelation, coalescence of emulsions

e. Sedimentation and subsidence

f

.

Osmotic pressures

g. Swelling pressures

h. Electrical double layer properties

i. Electrokinetic properties (electrophoresis, sedimentation

and centrifugation potentials

j . Electrical properties (dielectric constant and conductivity

of colloidal solutions

k. Optical properties: light scattering, light absorption,

electrooptical, and streaming birefringence

1. Rheological properties

m. Adsorption on colloidal particles

2. Lyophilic colloids

a. Formation of sols: polymerication kinetics, solubility of

macromolecular compounds

b. Aging, breakdown of chains

c. Molecular weight, coil dimensions

d. Colloidal stability: coagulation, salting out, gelation,

sensitization and protection of lyophobic colloids-gold numbers

e. Sedimentation

f. Osmotic pressure, diffusion

g. Swelling pressures

h. Electrical double layer properties, isoelectric point proteins

i. Electrokinetic properties (electrophoresis, sedimentation and

centrifugation potentials , electroviscous effect)

j. Electrical properties (dielectric constant and conductivity

of the sols and gels)
76

k. Optical properties (light scattering, light absorption,

birefringence, refractive (index)

1. Rheological properties

m. Adsorption of polymers at interfaces

n. Solubility of gases in colloidal solutions

3. Association colloids

a. Critical micelle concentrations

b. Micellar weight

c. Solubility

d. Hydrolysis of soaps

e. Phase equilibria

f. Osmotic pressures-freezing point lowering, boiling point elevation

g. Electrical properties (dielectric constant and conductivity

of the solutions)

h. Optical properties (light scattering, light absorption, refractive

index)

i. Rheological properties

j. Surface tension of the solutions

B. Interfaces

1^ Properties of interfaces

a. Surface total energies, enthalpies, entropies and free energies

of solids and liquids. (Includes surface tension.)

b. Interfacial tensions

c. Contact angles

d. Diffusion and transport properties at surfaces, (heat transfer, mass transfer through interfaces and surface diffusion)

e. Electrical properties of interfaces: surface conductance,

streaming potentials, electroendosmosis, liquid junction

potentials, membrane potentials.

2. Adsorption at surfaces

a. Physical adsorption of gases and vapors on solids- adsorption

isotherm. Molecular cross sectional areas of the adsorbates,

specific surface areas of solids, pore structure of solids;

Free energy, entropy and heat of physical adsorption; rates

of adsorption

b. Adsorption of liquids on solids, adsorption frcm solution, adsorption

isotherm. Molecular cross sectional area of adsorbed compounds;

Free energy, entropy, and heat of adsorption.

c. Chemi sorption. Free energy, entropy and heat of chemi sorption;

Physical properties of chemisorbed molecules.

3. Monomolecular films

a. Thickness of films and molecular cross sectional area. Equations

of state of monomolecular films. Electrical potentials of surface

films.
77

VI B Mechanical Properties

A. Crystalline substances

T7 Single crystal

a. Linear behavior

(1) Elastic constants

(2) Temperature coefficients of

(3) Pressure coefficients of

(4) Anelastic relaxation strength (decrement)

(5) Temperature coefficients of

b. Non- linear behavior

(1) Critical resolved shear stress

(2) Temperature dependence of

(3) Slip crystallography

(4) Stress strain curves including strain- rate and

temperature dependence

(5) Stacking fault energy (including impurity dependence)

(6) Dislocation velocity vs stress

(7) Thermal recovery

(8) Steady state creep- activation energy vs tanperature

(9) Force- activation distance for logaritEinic creep

(10) Creep curves v^ temperature, stress parameters

c. Terminal behavior

(1) Fracture stress

(2) Surface energy

2. Polycrystalline metals and alloys

a. Linear behavior

(1) Modulus of elasticity in tension

(2) Modulus of elasticity in compression

(3) Modulus of elasticity in shear

(4) Proportional limit

(5) Poisson's ratio

(6) Bulk modulus

b. Non- linear behavior

(1) Stress-strain curves (engineering and true)

(2) Yield strength in tension

(3) Yield strength in compression

(4) Yield strength in shear

(5) Tensile strength

(6) Reduction in area

(7) Creep characteristics in tension

(8) Creep characteristics in compression

(9) Stress-relaxation in tension

(10) Hardness

c. Tenninal behavior

(1) True stress at fracture

(2) True strain at fracture

(3) Elongation

(41 Reduction of area

(5) Stress rupture

(6) Fatigue strength
78

3. Polycrystalline Ceramics

a. Linear behavior

(1) Elastic moduli (bulk, shear, Young's modulus, Poisson's

ratio) as a function of porosity. Zero porosity obtained

by direct measurement or by extrapolation.

(2) Temperature dependence of above elastic properties expressed

as a fraction of the room temperature value (eliminates porosity)

as far into the temperature range of grain boundary sliding as data permit.

(3) Nabarro - Herring creep parameter as a function of temperature.

Activation energy when available.

(4) Internal friction parameters and relation to structural defects.

b. Non- linear behavior

(1) Stress-time curves at constant strain rate and temperatures,

for various strain rates and temperatures.

(2) Creep curves under constant load.

c. Terminal behavior

(1) Fracture stress as a function of porosity and grain size.

Surface condition effects when data available. Temperature

and stress rate dependence. Effect of atmosphere.

4. Crystalline Polymers

a. Linear behavior

(1) Curves for the real and imaginary parts of the bulk and shear

modulus at various frequencies and over a wide temperature

range. These should be presented in review articles which

stress the physical and chemical characterization of the samples

on which measurements have been made.

b. Non- linear behavior

(These are not understood well enough on either the basic theoretical level or the experimental level to merit their inclusion.)

c. Terminal behavior

(1) A critical review article on the relationship of the terminal

properties of fibers to fundamental aspects of the structure.

B. Non-Crystalline Substances

TT Inorganic glasses

a. Linear behavior

(1) Elastic moduli at thermal equilibrium (bulk moduli at

infinite and at zero frequency, shear modulus at infinite , frequency). Relaxation times, their distributions and

associated change in moduli.

(2) Elastic moduli (bulk, shear and Young's moduli. Poisson's

ratio) at room temperature for glasses of specified

fictive temperature.

(3) Viscosity (shear) as a function of temperature at thermal

equilibrium. Softening, strain, glass transition and i annealing temperatures. ' (4) Viscosity as a function of temperature and thermal history.

(5) Ratio of volume to shear viscosity.

(6) Internal friction parameters (fiber torsion and other techniques).

b. Non- linear behavior

(1) Pressure dependence of bulk modulus.

(2) Viscosity (if enough data on non- linear beliavior exists.

(3) Knoophardness
79

c. Terminal behavior

(1) Surface tension as a function of temperature

(2) Fracture energy and attempts to relate to surface energy

(3) Modulus of rupture

(4) Crack propagation velocity

2. Organic glasses

a. Linear behavior

(1) Glass transition temperature

(2) Thermal expansion coefficient (below, but near T ) (3) Compressibility (below, but near T ) ^

b. Non- linear behavior ^ Nothing at present

c. Terminal behavior

3. Polymer liquids

a. Linear behavior

(1) Viscosity as a function of temperature, pressure and

molecular weight. (Review and tables.)

(2) Limiting (high frequency) modulus as a function of temperature

and pressure.

(3) Glass transition (Same as B.2)

(4) Intrinsic viscosity functions for each polymer in one or more

solvents is important information as is also information on chain length, end-to-end distance, etc. (Such information

should be covered somewhere by NSRDS. This might be a good

place)

.

b. Non- linear behavior

Nothing now.

c. Terminal behavior

(1) Critical review with representative curves and/or tabulations

4. Simple liquids

a. Linear behavior

(1) Viscosity as function of temperature and pressure

(2) Surface tension

(3) Limiting (high frequency) values of shear rigidities as function of temperature and pressure.

b. Non- linear behavior

Nothing at present

c. Terminal behavior

Nothing at present

THE NATIONAL BUREAU OF STANDARDS

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in industry and commerce. Its responsibilities include development and maintenance of the national

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those standards; determination of physical constants and properties of materials; development of methods for testing materials, mechanisms, and structures, and making such tests as may be necessary, particularly for government agencies; cooperation in the establishment of standard practices

for incorporation in codes and specifications; advisory service to government agencies on scientific and technical problems; invention and development of devices to serve special needs of the Govern- ment; assistance to industry, business, and consumers in the development and acceptance of commercial standards and simplified trade practice recommendations; administration of programs in cooperation with United States business groups and standards organizations for the development

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