Theoretical Geochemistry: Applications of Quantum Mechanics in the Earth and Mineral Sciences

by John A. Tossell, David J. Vaughan

Overview

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.

Product Details

ISBN-13:	9780195044034
Publisher:	Oxford University Press
Publication date:	03/19/1992
Pages:	528
Product dimensions:	9.86(w) x 6.20(h) x 1.65(d)

About the Author

University of Maryland

University of Manchester

Table of Contents

1. Introduction2. Experimental Methods3. Theoretical Methods4. Application of Quantum Mechanical Methods to Simple Inorganic "Molecules" of Relevance to Mineralogy and to Oxide Minerals5. Applications to Silicate, Carbonate, and Borate Minerals and Related Species6. Applications of Bonding Models to Sulfide Minerals7. Applications in Mineral Physics and Chemistry8. Applications to Geochemical Problems9. The Future

Editorial Reviews

"The book is very instructive with a large number of tables and figures to illustrate the various topics. The appendices are very useful as is a very comprehensive reference list. Theoretical Geochemistry illustrates well what can and cannot be accomplished through computational methods." —Geochemica et Cosmochemica Acta

"The first to attempt a broad survey of the 'quantum earth.' . . . the authors did a rather thorough job of reporting: over 1100 references are included in the bibliography. The presentation is detailed and relies almost entirely on examples from published papers. . . . very useful. . . . invaluable as a guide to the literature for graduate seminar courses. Those of us who are interested in the earth owe the authors a debt of gratitude for the great effort it took to review so much of the present literature. . . . well produced; it has few typos, the text is easy to read and the binding seems solid." —Pure and Applied Geophysics

"This text by Tossell and Vaughan is outstanding and timely. This book provides the first major introduction and review of such advanced geochemical methods and shows how they can be applied to mineralogy. For anybody interested in the way in which geochemistry will evolve in the 21st century, this book is essential reading. The authors are to be congratulated in producing a first-class contribution to literature." —R.J. Price, Mineralogical Magazine

"This is a welcome contribution that presents a comprehensive account of the research of the authors and of others concerning the quantum theory of electronic energy levels in geologically interesting materials and of the related experimental spectroscopy....Chapters 4,5, and 6...are excellent presentations....A most welcome account of the advance of knowledge in this special interdisciplinary field." —Geochimica and Cosmochimica Acta

From the Publisher