Data and Knowledge in a Changing World

Scientific Publication Committee

Chairman: Members:

H. Behrens (Germany) A. Gaye (Senegal) H. Kehiaian (France) T. Kunisawa (Japan) K. Lal (India) J.-J. Royer (France)

CODATA Secretariat

Executive Director: K. Cass 51 Boulevard de Montmorency 75016 Paris, France

E-mail: codata@dial.oleane.com http://www.codata.org

Springer-Verlag Berlin Heidelberg GmbH

0. B. Fabrichnaya · S.K. Saxena

P. Richet · E.F. Westrum

Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems

An Assessment for Materials and Planetary Scientists Based on

Calorimetric, Volumetric and Phase Equilibrium Data

~Springer

CODATA Secretariat K. Cass, Exec. Director 51, Boulevard de Montmorency

F-75016 Paris

ISBN 978-3-642-05730-4 ISBN 978-J-662-10504-7 (eBook) DOI 10.1007/978-2-662-10504-7

Cataloging-in-Publication Data applied for A catalog record for this book is available from the Library of Congress. Bibliographic information published by Die Deutsche Bibliothek Die Deutsche Bibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data is available in the Internet at http://dnb.ddb.de

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Introduction to the Series

COD AT A is an interdisciplinary Scientific Committee of the International Council for Science (ICSU). It works to improve the quality, reliability, management and accessibility of data of importance to all fields of science and technology. CODATA is a resource that provides scientists and engineers with access to inter­national data activities for increased awareness, direct cooperation and new knowledge. CODATA, established over 33 years ago by ICSU, promotes and en­courages on a world-wide basis the compilation, evaluation and dissemination of reliable numerical data of importance to science and technology. This includes data initiatives and modeling of an interdisciplinary nature such as that encoun­tered in far-reaching projects e.g. Global Change, various Genome projects, envi­ronmental and biodiversity issues, etc .. Today 22 countries are members, 15 Inter­national Scientific Unions have assigned liaison delegates, there are 4 co-opted delegates and 20 supporting organizations from industry, government and acade­mia.

CODATA is concerned with all types of data resulting from experimental measurements, observations and calculations in every field of science and tech­nology, including the physical sciences, biology, geology, astronomy, engineering, environmental science, ecology and others. Particular emphasis is given to data management problems common to different disciplines and to data used outside the field in which they were generated.

CODATA's primary purpose in launching the series "Data and Knowledge in a changing World" is to collect data and the wealth of information pertaining to the intelligent exploitation of data in the conduct of science and technology and to make these data and information available to a multidisciplinary community. This series in support of that goal provides a forum made up of many contributions which can be theoretical treatments, compilations or applied outlines. This in­cludes computer related handling and visualization of data to the major scientific and technical fields.

To this end, the series on Data and Knowledge is open to contributions of vari­ous kinds, in particular:

Fostering the improvement of the accessibility and quality of quantitative and qualitative data;

Treating classical and ground breaking methods by which numeric and sym­bolic data are acquired, analyzed and managed;

Presenting new data and knowledge interfaces designed to optimize interop­erability and thereby increase the potential for sharing data among databases and networks;

VI Introduction to the Series

Promoting international cooperation in communication and data sharing. This includes works dealing with standardization, data quality agreements and con­ceptual data descriptions (metadata, syntactic and semantic approaches) along with papers dealing with the evolution of internet based facilities, other forms of worldwide communications and electronic publishing;

Providing new insights into, or interpretations of, processes leading to creative design in the field of concurrent and/or cooperative engineering, including cognitive aspects critical to data based decision making.

In the evolving information world we live in, where the traditional ways of trans­ferring information as an essential resource are rapidly changing, this Series aims to identity emerging and innovative concepts for data compilation, handling, man­agement, and evaluation. Its ambition is to be a catalyst for change while simulta­neously nurturing a thought-provoking forum.

Acknowledgments

Our special thanks go to Mrs. Mary Browning who computerized the manuscript and provided much editorial assistance on many details.

The work incorporated and reviewed here reflects endeavors of a very distin­guished group of research scientists. We thank them for sharing this international endeavor in thermophysics and thermochemistry especially within a geochemical framework. We thank the International Council for Science through CODATA (Committee on Data for Science and Technology) for modest support through the Geochemistry Task Group over the years and support earmarked more recently especially for this project.

Preface

This book involves application of the Calphad method for derivation of a self­consistent thermodynamic database for the geologically important system Mg0-Fe0-Fe203-Alz03-Si02 at pressures and temperatures of Earth's upper mantle and the transition zone of that mantle for Earth. The created thermodynamic database reproduces phase relations at 1 bar and at pressures up to 30 GPa. The minerals are modelled by compound energy formalism, which gives realistic descriptions of their Gibbs energy and takes into account crystal structure data.

It incorporates a detailed review of diverse types of experimental data which are used to derive the thermodynamic database: phase equilibria, calorimetric stud­ies, and thermoelastic property measurements. The book also contains tables of thermodynamic properties at 1 bar (enthalpy and Gibbs energy of formation from the elements, entropy, and heat capacity, and equation of state data at pressures from 1 bar to 30 GPa. Mixing parameters of solid solutions are also provided by the book.

Table of Contents

Introduction to the Series ....................................................................................... V

Acknowledgments ................................................................................................ VII

Preface ................................................................................................................... IX

Table of Contents .................................................................................................. XI

Co-Authors ......................................................................................................... XIII

Vitae of Co-Authors ............................................................................................. XV

CODATA Task Group on Geothermodynamic Data ....................................... XXIII

Chapter 1. 1.1 1.2 1.3 1.4 1.5

Chapter 2. 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9

Thermodynamics and Modeling .......................................................... 1 Introduction ....................................................................................... 1 Thermodynamic Modeling ................................................................ 1 Experimental Data ............................................................................ 3 Programs and Assessment. ................................................................ 4 System and Phases ............................................................................ 5

Experimental Phase Equilibrium Data ................................................. 7 The Si02 System ............................................................................... 7 The Fe-0 System .............................................................................. 8 The Fe-Si-0 System ........................................................................ 10 The Mg0-Si02 System ................................................................... 11 The Fe-Mg-Si-0 System ................................................................. 12 The Ah03-Si02 System .................................................................. 15 The FAS (Fe0-Ah03-Si02) System ............................................... 15 The MAS (Mg0-Ab03-Si02) System ............................................ 16 The FMAS (Fe0-Mg0-Ah03-Si02) System .................................. 19

Chapter 3. Thermodynamic Data for Stoichiometric Phases and End-members of Solid Solutions ................................................ 25

3.1 Introduction ..................................................................................... 25 3.2 Data for Compounds ....................................................................... 25

Si02 Tables ..................................................................................... 26 Fe Tables ......................................................................................... 38 AbSi05 Tables ................................................................................ 42

XII Table of Contents

Fe20 3 Tables .................................................................................... 48 Magnesioferrite S.S. Tables ............................................................ 50 Spinel S.S. Tables ........................................................................... 54 Magnesiowustite S.S. Tables .......................................................... 58

Olivine S.S., ~-andy-Spinel S.S. Tables ........................................ 64 Protopyroxene S.S. and Hpclinopyroxene S.S.Tables .................... 76 Orthopyroxene S.S. Tables ............................................................. 84 Garnet S.S. Tables ........................................................................... 90 Ilmenite S.S. Tables ........................................................................ 98 Perovskite S.S. Tables ................................................................... 104

3.3 Comments on Equation of State Tables ........................................ 110 3.4 Comments on Thermodynamic Tables .......................................... 119

Chapter 4. Solid Solution Models and Data ....................................................... 129

4.1 Olivine/ ~-, y-spinel. ...................................................................... 129 4.2 Pyroxene ........................................................................................ 130 4.3 Magnesiowustite ........................................................................... 131 4.4 Spinel ............................................................................................ 132 4.5 Garnet ............................................................................................ 132 4.6 Ilmenite/Perovskite ....................................................................... 135

Chapter 5. Calculation of Phase Diagrams ......................................................... 137 5.1 The Si02 System ........................................................................... 137 5.2 The Fe-0 System ........................................................................... 138 5.3 The Fe0-Si0r02 System .............................................................. 140 5.4 The Mg0-Si02 System .................................................................. 142 5.5 The Fe0-Mg0-Si02 System ......................................................... 143 5.6 The FAS System ........................................................................... 153 5.7 The MAS System .......................................................................... 155 5.8 The FMAS System at Pressures up to 5 GPa ................................ 158 , 5.9 The FMAS System at Pressures up to 30 GPa .............................. 163

References ........................................................................................................... 173

Subject and Substance Index ............................................................................... 191

Glossary ............................................................................................................... 197

Co-Authors

Fabrichnaya, Olga, Ph.D. Max-Planck-Institut fUr Metallforschung, Pullvermetallurgische Laboratorium Heisenbergstr. 3, 70659 Stuttgart, Germany Phone: +49-711-689-31 06 Fax: +49-711-689-3131

Richet, Pascal, Ph.D. Laboratoire des Geomateriaux, Institute de Physique du Globe de Paris 4 Place Jussieu, F-75252 Paris cedex 5, France Phone: +33-1-4427-4938 Fax: +33-1-4427-2487

Saxena, Surendra K., Ph.D. Director CeSMEC, Center for the Study of Matter at Extreme Conditions, Florida International University, VH150, University Park Miami, Florida, 33199, U.S.A. Phone:+ 1-305-348-3030 Fax:+ 1-305-348-3070

Westrum, Edgar F. Jr., Ph.D. Department of Chemistry, University ofMichigan Ann Arbor, MI 48109-1055, U.S.A. Phone: +1-734-764-7357 Fax: +1-734-647-4865 E-mail: westrum@umich.edu

Vitae of Co-Authors

Olga B. Fabricbnaya Born November 1, 1960; Moscow, Russia

Education 1978-1983

1983-1987

1988

1995-1998

Employment 1987-1989 1989-1992 1992-1995

1995-1998

1998-1999 1999-present

Moscow State University, Chemistry Department; Master of Science in Physical Chemistry Post Graduate Course in Vernadsky Institute of Geochemis­try and Analytical Chemistry, the USSR Academy of Sci­ences, Moscow Candidate of Science. Thesis: "Phase relations in olivine and pyroxene systems at P-T conditions of the mantle transition zone" in the Vernadsky Institute of Geochemistry and Ana­lytical Chemistry Ph.D. Student in Uppsala University, Sweden; Ph.D. in Min­eralogy, Petrology and Tectonics. Thesis: "Thermodynamic study of the FeO- MgO-AhOrSi02 system. Data assessment and phase diagram calculation"

Junior Scientist in Vernadsky Institute, Moscow, USSR Research Scientist Senior Scientist, Moscow, Russia; Visiting Scientist in the Institute of Earth Sciences, Uppsala University, Sweden Doctorand in the Institute of Earth Sciences, Uppsala Univer­sity, Sweden Researcher in Royal Institute of Technology, Stockholm Guest Scientist in Max-Planck-Institute fiir Metallforschung, Stuttgart, Germany

Publications (26 total) 4. O.L. Kuskov and O.B. Fabrichnaya, "Phase relations in the Fe0-Mg0-Si02

system: The thermodynamic parameters of virtual ~-Fe2Si04, and petrologi­cal and geophysical applications." Geochem. Intern. 24, No 9, 56--72 (1987)

10. O.B. Fabrichnaya and O.L. Kuskov, "Constitution of the mantle: 1. Phase relations in the Fe0-Mg0-Si02 system at 10-30 GPa." Phys. Earth Planet. Intern. 69, 56-71 (1991)

18. O.B. Fabrichnaya, "Thermodynamic data for phases in the FeO-MgO-SiOz system and phase relations in the mantle transition zone." Phys. Chern. Min­erals 22, 323-332 (1995)

XVI Vitae of Co-Authors

23. 0. Fabrichnaya and I. Nerad, "CaO·Si02 - CaO·Alz03·2Si02 - 2Ca0 Alz03

Si02 system." J. Eur. Ceram. Soc. 20,505-515 (2000) 25. O.B. Fabrichnaya, H.J. Seifert, T. Ludwig, F. Aldinger, and A. Navrotsky,

"The assessment of thermodynamic parameters in the Alz03- Y20 3 system and phase relations in the Y-Al-0 system." Scand. J. Metallurgy 30, 175-183 (2001)

Surendra K. Saxena

Education and Employment 1963-1964 Research Fellow, Uppsala University 1964-1967 Doctoral research 1967 Ph.D., Uppsala University, Uppsala, Sweden 1967-1968 Assistant Professor, Institute of Mineralogy and Geology,

Uppsala 1968-1969 Research Scientist, Institute of Mineralogy and Geology,

Uppsala 1969-1971 Senior Research Associate, National Academy of Science, at

Goddard Space Flight Center, Greenbelt, Maryland 1971-1972 Research Associate, Virginia Polytechnic Institute and State

University 1973-1976 Associate Professor, Brooklyn College, City University of

New York 1977-1996 1983-1996

1989-2001 1999--present

Professor, Brooklyn College, City University of New York Professor, Graduate Center of the City University of New York Professor, Univesity ofUppsala, Sweden Professor, Florida International University, Miami, Florida

Professional Affiliations Member, Royal Swedish Academy of Science La urea Honoris causa dall 'Universita di Padova (200 1)

Books 1. Thermodynamics of rock-forming crystalline solutions. Springer-Verlag,

New York, 1973. Published in Russian by MIR publishers, 1975, Ed. L.L. Perchuk. Translated into Chinese, 1979

2. Chemical Petrology: With applications to terrestrial planets and meteorites, R.F. Mueller and S.K. Saxena. Springer-Verlag, New York, 1977. Translated into Russian by MIR publishers in 1979. Translated into Chinese in 1983

3. Mixtures and Mineral Reactions, J. Ganguly and S.K. Saxena. Springer­Verlag, 1987

Vitae of Co-Authors XVII

4. Thermodynamic Data on Oxides and Silicates, S.K. Saxena, N. Chatterjee, Y. Fei and G. Shen. Springer-Verlag, New York, 1993

5. Energetics of Geological Processes. Hans Ramberg Volume. Editors: S.K. Saxena and 1. Bhattacharji. Springer-Verlag, New York, 1977

6. Advances in Physical Geochemistry. APG Series Editor: S.K. Saxena. Sprin-ger-Verlag

7. APG Volume 2. Fe-Mg Order-Disorder in Silicates and Other Topics, 1982 8. APG Volume 3. Kinetics and Equilibrium in Mineral Reactions, 1983 9. APG Volume 6. Chemistry and Physics of Terrestrial Planets, 1986 10. APG Volume 10. Thermodynamic Data Systematics, 1992.

Selected Journal Publications 77. Y. Fei and S.K. Saxena, "Fluids at crustal pressures and temperatures," Con­

trib. Mineral. Petrol. 95, 370-375 (1987) 104. S.K. Saxena, G. Shen and P. Lazor, "Experimental evidence for a new iron

phase and implications for Earth's core," Science 260, 1312-1314 (1993) 112. S.K. Saxena, "Earth mineralogical model: Gibbs free energy minimization

computation in the system Mg0-Fe0-Si02," Geochim. Cosmochim. Acta 60, 2379-2395 (1996)

129. M. Hillert, B. Burton, S.K. Saxena, S. Degterov, K.C.H. Kumar, H. Ohtani, F. Aldinger, and A. Kussmaul, Workshop in thermodynamic modelling of solutions and alloys-Shloss Ringberg, March 10-16 (1996)-Group 4: model­ling of oxides, Calphad-Computer Coupling of Phase Diagrams and Ther­mochemistry 21,247-263 (1997)

180. S.K. Saxena, "Thermodynamics of epsilon iron at core physical conditions," Geophysical Monographs, American Geophysical Union, in press (2002)

Pascal Richet

Education 1972-1977 1974 1976

1982

Student, Ecole Normale Superieure, Science section Master, Fundamental Geochemistry, University Paris 7 3rd Cycle Doctorate, Chemistry, University Paris 7; Thesis: "Calcul des fractionnements isotopiques des molecules sim­ples d'interet geochimique. Applications geochimiques et cosmochimiques." State Doctorate, Physics, University Paris 7; Thesis: "Pro­prietes termodynamiques des silciates fondus."

XVIII Vitae of Co-Authors

Employment 1977-1983

1983-1985

1986-present 1996-1997

2001

Books

CNRS Research Scientist at the Institut de Physique du Globe de Paris, Paris Postdoctoral Fellow at the Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C., U.S.A. Physicist at the Institut de Physique du Globe de Paris, Paris Alan Cox Visiting Professor, Stanford University, California, U.S.A. Visiting Professor, Tokyo Institute of Technology, Japan

1. P. Richet, L 'age du monde-A Ia decouverte de l'immensite du temps, Edi-tions du Seuil, Paris (1999)

2. P. Richet, Les bases physiques de Ia thermodynamique, Belin, Paris (2000) 3. P. Richet, L 'age du verre, Decouvertes Gallimard, Paris (2000) 4. P. Richet, The Physical Basis of Thermodynamics, Plenum Publishing, New

York (2001)

Selected Popularizations (15 total) 2. P. Richet, La Terre, temps des contrastes, in L 'an 2000 entre autres ... , Air

France Magazine, p. 131-140 (December 1999) 5. P. Richet, articles dealing with earth sciences, physics and literature in Dic­

tionnaire culture/ des sciences, ed. by N. Witkowski, Editions du Seuil et du Regard, Paris (200 1)

8. P. Richet, articles dealing with earth sciences in Dictionnaire culture! de Ia langue fran~aise, ed. by A. Rey, Dictionnaires Le Robert, Paris (2002)

Selected Research Publications (120 Total) 5. Y. Bottinga and P. Richet, "Thermodynamics of liquid silicates: a prelimi­

nary report," Earth Planet. Sci. Lett. 40, 382-400 (1978) 14. Y. Bottinga, P. Richet and D.F. Weill, "Calculation of the density and ther­

mal expansion coefficient of silicate liquids," Bull. Mineral. 106, 129-138 (1983)

24. P. Richet, R.A. Robie and B.S. Hemingway, "Low-temperature heat capacity of diopside glass: A calorimetric test of the configurational entropy theory as applied to the viscosity of liquid silicates," Geochim. Cosmochim. Acta 50, 1521-1533 (1986)

35. P. Richet and G. Fiquet, "High-temperature heat capacity and premelting of minerals in the system MgO-CaO-AlzOrSi02," J Geophys. Res. 96, 445-456 (1991)

44. G. Fiquet, Ph. Gillet and P. Richet, "Anharmonic contribution to the high­temperature heat capacity of crystals - Application to Ca2Ge04, Mg2Ge04

and CaMgGe04 olivines," Phys. Chem. Minerals 18,469-479 (1992)

Vitae of Co-Authors XIX

56. P. Richet, J. Ingrin, B.O. Mysen, P. Courtial and Ph. Gillet, "Premelting of minerals: an experimental study," Earth Planet. Sci. Lett. 121, 589--600 (1994)

75. B. Champagnon, C. Chemarin and P. Richet, "Fictive temperature and me­dium range order in silicate glasses: heat capacity measurements and Boson peak," Phil. Mag. B77, 663--669 (1998)

82. A. George, P. Richet and J.F. Stebbins, "Cation dynamics and premelting in lithium metasilicate (Li2Si03) and sodium metasilicate (Na2Si03): a High­Temperature NMR Study," Amer. Mineral83, 1277-1284 (1998)

108. D. deLigny, P. Richet, E.F. Westrum, Jr. and J. Roux, "Heat capacity and en­tropy of rutile (Ti02) and of nepheline (NaA1Si04)," Phys. Chem. Minerals 29, 267-272 (2002)

Chapters in Books (6 total) 5. P. Richet, "Glasses and the glass transition," Mineralogical Notes, 3, 419-

447, European Mineralogy Union (2001)

Edgar F. Westrum, Jr. Born March 16, 1919, Albert Lea, Minn.

Education and Employment 1937-1938 Hamline University, St. Paul, Minn. 1939-1941 Institute of Technology, University of Minnesota, Minneapo­

lis, Minn., B. Chern., Physical Chemistry 1941-1944 University of California-Berkeley (Mentorship of Prof. K.S.

Pitzer, Ph.D. 1944), Thermodynamics 1945 University of Chicago, 1945. Post-doctoral work in optical

crystallography 1944-1947 University of Chicago, Metallurgical Laboratory, Plutonium

research, nuclear physics, and chemistry 1947-1952 University of California Radiation Laboratory with Prof.

G. T. Sea borg (and subsequently as a consultant and faculty member)

1946-1989 University of Michigan, Assistant Professor, 1946; Associate Professor, 1951; Professor of Chemistry, 1957

1989- Professor Emeritus-Consulting; for industry; government; International Atomic Energy Agency (Vienna, Austria); Seiko Seikosha (Tokyo, Japan), Joint U.S.-Japan Atomic En­ergy Commission; etc.

XX Vitae of Co-Authors

Academic Endeavors Teaching. Undergraduate courses: General Chemistry, Physical Chemistry, Lit­erature, Chemical History, Scientific Writing, Honors Physical Chemistry, Physi­cal Chemistry Laboratory. Graduate Courses: Thermodynamics, Statistical Me­chanics, Kinetics, Advanced Thermodynamics, Special Topics, etc.

1966-1992

1983-1993 1983-1989

1991-1993

Member, Executive Board of the (War Memorial) Phoenix Project, peacetime uses of nuclear energy, University of Michigan Coordinator, Physical Chemistry Division Urban/Minority Program in Scholarly Research (for under­represented minority high school students) S.E. Michigan Research Mentorships

National Scientific Activities 1964-1968 Advisory Review Committee for the Heat Division, National

Bureau of Standards 1965-1971

1969-1974

1970-1973

1970-1973

1972-1979

1975-1976

1982-1992

U.S. National Committee for the International Institute of Re­frigeration, Member National Research Council Committee on Weights, Units, and Terminology (under the general aegis of the Numerical Data Advisory Board), Member U.S. National committee for CODATA: Member, 1970-72; Chairman 1972-73; National Delegate (U.S.) to International General Assembly CODATA, 1973 Chairman, Ad hoc IUP AC Committee for the Updating, Ex­tension, Revision and Internationalization of the Resolution on the Publication of Calorimetric Data Advisory Review Committee for the Physical Chemistry Di­vision, National Bureau of Standards Organizer and first Chairman, Gordon Research Conference on Orientational Disorder in Crystals Education Panel of the (U.S.) Numerical Data Advisory Board (NDAB)

International Scientific Involvement 1963 Continuous association with IUP AC since 1963 including

service as Commission Chairman 1971-1976

1973-1976

1975-1979

ICSU/CODATA Task Group for Primary Data Publication, Chairman ICSU/CODATA Representative to ICSU AB/CODATA Joint Working Group on Data Tagging and Flagging ICSU Policy Group on Scientific Information, Chairman

1982-

1985-1989

1985-1993 1985-1994

Scientific Unions 1969-1973

1973-1975

1982-1988

Vitae of Co-Authors XXI

ICSU/CODATA Task Group for Chemical Thermodynamic Tables ICSU/CODATA Task Group for Geothermodynamic Data, Chairman ICSUICODATA Task Group for Referral Data, Chairman A prime involvement in the ICSUICODATA international activity was being the initial holder of the newly created post of Secretary General for the maximum statutory terms total­ing eight years and-by unanimous vote of the General As­sembly-an additional one year term. He was also Editor-in­Chief for CODATA 1994-1999.

IUP AC Commission 1.2 on Thermodynamics and Thermo­chemistry, Titular Member and Chairman 1997-77, Secretary 1969-73, Associate Member 1963--69, Past Chairman (pre­sent at all international conferences) IUPAC Division of Physical Chemistry, Divisional Commit­tee IUPAC Delegate to ICSU/CODATA

Professional and Other Society Memberships and Offices Honorary Societies: Alpha Chi Sigma, Phi Lambda Upsilon, Society of Sigma Xi Fellow: American Physical Society, American Institute of Chemists,

American Association for the Advancement of Science Scientific Societies: American Chemical Society, Faraday Society, The Chemical

Society (U.K.), Netherlands Physical Society, The Calo­rimetry Conference (U.S.) (Initiator, Chairman, and other of­fices including Directorship, 1955-1971)

Editorial Endeavors 1962-1970 The Thermophysical Bulletin merged in 1962 with the Bulle­

tin of Thermochemistry and Thermodynamics to become what was designated as the Bulletin of Chemical Thermody­namics. This "zeroth order critical table" of some 600 pages per year provides a survey of the approximately 6000 articles in chemical thermodynamics, as well as a summary of com­pleted-but -unpublished-experimentation

1966-1984 With Prof. Max McGlashan and Henry Skinner, he launched the prestigeous Journal of Chemical Thermodynamics pub­lished by Academic Press and shared the editorship with Prof. McGlashan during eight formative years, by the end of

XXII Vitae of Co-Authors

which it had grown to its present page count and 12 issues per year.

1967-1978 Editor, The Bulletin of Thermodynamics and Thermochemis­try, 1967-77; Associate Editor, 1978, (renamed) Bulletin of Chemical Thermodynamics

1969-1977 Initiator and Co-Editor, The Journal of Chemical Themody­namics

1976-1979 Advisory Editorial Board, Member, Journal of Physical and Chemical Reference Data

1981-1995 Editor-in-Chief, ICSU/CODATA; Editor, CODATA Direc­tory of Data Sources for Science and Technology; editor, CODATA Newsletter Thermodynamics of Organic Sub­stances, D.W. Stull, G.A. Sinke, E.F. Westrum, Jr.

1971 Edition in Russian: Thermodynamics of Organic Substances. D.W. Stull, G.A. Sinke, E. F. Westrum jr. Isdatelsvo Mir Moscow 936 pp.

1985-2002 Author or editor on 13 ICSU/CODATA books on data han­dling, database management, regional and environmental data, etc.

Journal Publications A total of 545 papers (13 during 2002) have been published. These cover nuclear physics and chemistry, data management and the application of chemical and ther­mophysical reaction calorimetry, and especially adiabatic heat-capacity calo­rimetry above the ambient temperatures to those within a few degrees above 0 K. Many deal with oxides, vitreous phases, plastic crystals behaviors, etc. [A copy of the 51 page list of reprints will be supplied on requests from scientists.]

CODATA Task Group on Geothermodynamic Data 1984-1998

Terms of Reference:

For Geothermodynamics, it is important to consider the calorimetric data along with the experimental phase equilibrium data in a system of interest. In extrapola­tions to high temperatures and pressures beyond the experimental range, calcu­lated data (e.g., by molecular dynamics) need to be introduced. Mineral physicists use spectroscopic and other experimental methods to measure the temperature­pressure dependence of physical properties. These data cannot remain isolated pieces of information and must be integrated into one internally consistent data­base. This is one important respect in which the work of this Task Group differed from others.

Chairman Prof. E.F. Westrum, Jr.

Members Dr. R. Berman Dr. T.J.B. Holland Dr. P. Richet Prof. S.K. Saxena

Corresponding Members Prof. E. Essene Prof. F. Gr0nvold Prof. B.S. Hemingway Prof. I. Khodakovsky Prof. R. Powell

Executive Committee Liaison Prof. M. Tasumi