Advances in Molten Salt Chemistry

1. Front Matter

   Pages i-xi

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2. Molecular Dynamics Calculations on Molten Ionic Salts

   • L. V. Woodcock

   Pages 1-74

3. Gas Solubility in Molten Salts

   • Paul E. Field

   Pages 75-120

4. Organic Reactions in Molten Tetrachloroaluminate Solvents

   • H. Lloyd Jones, Robert A. Osteryoung

   Pages 121-176

5. Experimental Techniques in Molten Fluoride Chemistry

   • Carlos E. Bamberger

   Pages 177-248

6. The Chemistry of Thiocyanate Melts

   • D. H. Kerridge

   Pages 249-273

7. Phase Diagrams of Binary and Ternary Fluoride Systems

   • Roy E. Thoma

   Pages 275-455

8. Back Matter

   Pages 457-458

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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.

• Absorption
• Observable
• Sorption
• behavior
• dynamics
• electrochemistry
• entropy
• metals
• phase diagram
• reactions
• spectroscopy
• structure
• thermochemistry
• thermodynamics
• ultraviolet

• Oak Ridge National Laboratory, Oak Ridge, USA

  J. Braunstein, G. P. Smith

• The University of Tennessee, Knoxville, USA

  Gleb Mamantov

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