Advances in Molten Salt Chemistry

Volume 3

J. Braunstein, Gleb Mamantov, G. P. Smith (Autoren)

Buch | Softcover

469 Seiten

2012 | Softcover reprint of the original 1st ed. 1975
Springer-Verlag New York Inc.
978-1-4615-8272-4 (ISBN)

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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.

1 Molecular Dynamics Calculations on Molten Ionic Salts.- 1. Introduction.- 2. Intermolecular Forces in Molten Salts.- 3. Computational Techniques.- 4. Calculation of Physical Properties.- 5. Applications.- 6. Conclusions.- 7. References.- 2 Gas Solubility in Molten Salts.- 1. Introduction.- 2. Experimental Techniques.- 3. Solution Thermodynamics.- 4. Calculation Methods.- 5. Appendix.- 6. References.- 3 Organic Reactions in Molten Tetrachloroaluminate Solvents.- 1. Introduction.- 2. Condensation-Addition Reactions.- 3. Dehydrogenation-Condensation Reactions.- 4. Molecular Rearrangements and Isomerizations.- 5. Miscellaneous Reactions.- 6. Organic Electrode Reactions.- 7. References.- 4 Experimental Techniques in Molten Fluoride Chemistry.- 1. Introduction.- 2. Thermochemistry of the Containment and Purification of Molten Fluorides.- 3. Handling Fluorides.- 4. Analysis.- 5. Design of Equipment.- 6. Absorption Spectroscopy of Molten Fluoride Solutions.- 7. Electrochemistry of Molten Fluoride Solutions.- 8. Miscellaneous Measurements.- 9. Presentation of Data of Equilibria in Molten Halides.- 10. Conclusions.- 11. References.- 5 The Chemistry of Thiocyanate Melts.- 1. Introduction.- 2. Chemistry of the Main Group Elements.- 3. Chemistry of the Transition Metals.- 4. Chemistry of the “F” Block Elements.- 5. Conclusion.- 6. References.- 6 Phase Diagrams of Binary and Ternary Fluoride Systems.- 1. Introduction.- 2. Binary Systems.- 3. Ternary Systems.

Erscheint lt. Verlag	5.1.2012
Zusatzinfo	29 Illustrations, black and white; XII, 469 p. 29 illus.
Verlagsort	New York, NY
Sprache	englisch
Maße	152 x 229 mm
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
ISBN-10	1-4615-8272-5 / 1461582725
ISBN-13	978-1-4615-8272-4 / 9781461582724
Zustand	Neuware