Theoretical geochemistry : applications of quantum mechanics in the earth and mineral sciences

著者

書誌事項

Theoretical geochemistry : applications of quantum mechanics in the earth and mineral sciences

John A. Tossell, David J. Vaughan

Oxford University Press, 1992

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

This work is based on the observation that further major advances in geochemistry, particularly in understanding the rules that govern the ways in which elements come together to form minerals and rocks, will require the application of the theories of quantum mechanics. The book therefore outlines this theoretical background and discusses the models used to describe bonding in geochemical systems. It is the first book to describe and critically review the application of quantum mechanical theories to minerals and geochemical systems. The book consolidates valuable findings from chemistry and materials science as well as mineralogy and geochemistry, and the presentation has relevance to professionals in a wide range of disciplines. Experimental techniques are surveyed, but the emphasis is on applying theoretical tools to various groups of minerals: the oxides, silicates, carbonates, borates, and sulfides. Other topics dealt with in depth include structure, stereochemistry, bond strengths and stabilities of minerals, various physical properties, and the overall geochemical distribution of the elements.

目次

  • Introduction
  • 1. Experimental methods
  • 2. Theoretical methods
  • 3. Application of quantum mechanical methods to simple inorganic "molecules" of relevance to mineralogy and to oxide materials
  • 4. Applications to silicate, carbonate, and borate minerals and related species
  • 5. Application of bonding models to sulfide minerals
  • 6. Applications in mineral physics and chemistry
  • 7. Applications to geochemical problems
  • 8. The future
  • Appendix A: Symbols, units, conversion factors, and constants
  • Appendix B: Experimental methods for obtaining information on structure and bonding
  • Appendix C: Quantum mechanical (and related) calculational methods and terminology
  • References
  • Index

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