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Ihr Team von Sack Fachmedien
Volume 3
Buch, Englisch, 469 Seiten, Format (B × H): 152 mm x 229 mm, Gewicht: 683 g
ISBN: 978-1-4615-8272-4
Verlag: Springer
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.
Zielgruppe
Research
Autoren/Hrsg.
Weitere Infos & Material
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.
