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Journal of Phase Equilibria

, Volume 13, Issue 4, pp 340–343 | Cite as

The power of chemical bonding models for prediction of thermodynamics and phase diagrams

  • L. Brewer
Section I: Basic and Applied Research
First Online:

Abstract

The demand for new materials to meet new technological requirements involves consideration of the properties of many combinations of the elements for which experimental data are not available. The examination of the variation of a property such as the enthalpy of formation across the periodic tables often does not yield reliable interpolations or extrapolations because of irregular variations. This problem can be resolved by Born-Haber-type cycles in which the bonding is described in terms of the combinations of gaseous atoms or ions of the same electronic configurations as in the condensed phase. Thus for the alkali halides, one examines the bonding strength for the combination of gaseous ions with the same charges and electronic configurations as in the ionic solid. For chromium to tungsten, bonding in body-centered-cubic (bcc) structures is given relative to d5s gaseous atoms. Thermodynamic properties of combinations of elements can be predicted.

Keywords

Periodic Table Electronic Configuration Promotion Energy Halide Phase Average Electron Concentration 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Cited References

  1. 1.
    L. Brewer, “Chemical Thermodynamics in the Future Development of Chemistry Including Environmental Problems,”Pure and Applied Chemistry, 64,1–8 (1992).CrossRefGoogle Scholar
  2. 2.
    D.I. Mendeleev, Russian Chemical Society Presentation, St. Petersburg, March 1869.Google Scholar
  3. 3.
    L. Brewer,“Prediction of High Temperature Metallic Phase Diagrams,”High-Strength Materials, V.F. Zackay, Ed., Ch. 2,12-103, John Wiley, New York (1965).Google Scholar
  4. 4.
    G.N. Lewis, M. Randall, K.S. Pitzer, and L. Brewer,Thermodynamics, 2nd ed, 525-526, McGraw-Hill Book Co. (1961).Google Scholar
  5. 5.
    M.F.C. Ladd and W.H. Lee,Progress in Solid State Chem. 1,37–82 (1964);2, 378-413 (1965); 3,265-288 (1967).CrossRefGoogle Scholar
  6. 6.
    C.E. Moore,Atomic Energy Levels, Vol. 1-3, U.S. Natl. Bur. Stand. Circ. 467, U.S. Govt. Print. Off., Washington, D.C. (1949,1952, 1958).Google Scholar
  7. 7.
    W. Hume-Rothery,The Metallic State, Oxford Univ. Press, Oxford (1931);Structures of Metals and Alloys, Institute of Metals, London (1936).zbMATHGoogle Scholar
  8. 8.
    N. Engel,Powder Met Bull 7,8 (1954); L. Brewer,“Thermodynamic Stability and Bond Character in Relation to Electronic Structure and Crystal Structure,”Electronic Structure and Alloy Chemistry of Transition Elements, P.A. Beck, Ed., 221–235, Interscience Publishers, John Wiley, New York (1963).Google Scholar
  9. 9.
    J.H. Hildebrand and R.L. Scott,The Solubility of Nonelectrolytes, 3rd ed., Reinhold Publ. (1950).Google Scholar
  10. 10.
    L. Brewer,“Viewpoints of Stability of MetallicStructures,”Battelle Geneva Colloquium on Phase Stability in Metals and Alloys, P. Rudman, J. Stringer, R. L. Jaffee, Ed., 39–61, 241-243, 246-249, 344-346, 560-568, McGraw-Hill, New York (1967).Google Scholar
  11. 11.
    L. Brewer,Acta Met., 15,553–556 (1967).CrossRefGoogle Scholar
  12. 12.
    L. Brewer,J. Nucl. Mater, 167,3–6 (1989).ADSCrossRefGoogle Scholar
  13. 13.
    L. Brewer,J. Mater. Educ.,6,733–767 (1984).ADSGoogle Scholar
  14. 14.
    M. Cima and L. Brewer,Metall Trans. B, 19,893–917 (1988).CrossRefGoogle Scholar
  15. 15.
    L. Brewer,“Chemical Bonding Theory Applied to Metals,”Alloying, J. L. Walter, M. R. Jackson, C. T. Sims, Ed., Ch. 1,1-28, ASM International, Metals Park,OH (1988).Google Scholar
  16. 16.
    L. Brewer, J.Phys. Chem.,94,7839–7842(1990).CrossRefGoogle Scholar
  17. 17.
    L. Brewer,J. Phys. Chem., 94,1196–1203 (1990).CrossRefGoogle Scholar

Copyright information

© ASM International 1992

Authors and Affiliations

  • L. Brewer
    • 1
    • 2
  1. 1.Department of ChemistryUniversity of CaliforniaUSA
  2. 2.Materials Sciences DivisionLawrence Berkeley LaboratoryBerkeley

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