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Advances in Molten Salt Chemistry - Volume 3 (Paperback, Softcover reprint of the original 1st ed. 1975)
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Advances in Molten Salt Chemistry - Volume 3 (Paperback, Softcover reprint of the original 1st ed. 1975)
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The first chapter of this volume deals with computer simulation of
molten salt behavior by molecular dynamics calculations. The next
four chapters are reviews of experimental work: Chapter 2 deals
with the solubility of nonre active gases in molten salts, Chapter
3 with various types of organic reactions in molten
tetrachloroaluminates, Chapter 4 with techniques for the study of
molten fluorides, and Chapter 5 with the physical and chemical
properties of thiocyanate melts. The last chapter is a collection
of phase diagrams for binary and ternary fluoride systems. J. B.,
G. M., G. P. S. v CONTENTS Chapter 1 MOLECULAR DYNAMICS
CALCULATIONS ON MOLTEN IONIC SALTS L. V. Woodcock 1. Introduction.
. 4 2. Intermolecular Forces in Molten Salts 4 2.1. True and
Effective Pair Potentials 2.2. Semiempirical Models 6 3.
Computational Techniques 13 3.1. Molecular Dynamics Simulation 13
3.2. The Monte Carlo Method 15 3.3. Electrostatic Summations . . 18
4. Calculation of Physical Properties 23 4.1. Equilibrium
Properties . 23 4.2. Transport Coefficients 27 4.3. Spectroscopic
Properties 32 5. Applications. . . . . . . . 35 5.1. Studies of
Interionic Forces. 35 5.2. Microstructure and Mechanisms 40 5.3.
Interpretation of Experimental Observables 50 5.4. Reappraisal of
Molten Salt Theories . 64 70 6. Conclusions 7. References. 72 vii
Contents viii Chapter 2 GAS SOLUBILITY IN MOLTEN SALTS P. Field 1.
Introduction 75 2. Experimental Techniques 78 3. Solution
Thermodynamics."
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