Front Cover -- Molten Salts Chemistry: From Lab to Applications -- Copyright -- Contents -- Contributors -- Preface -- Chapter 1: Modeling of Molten Salts -- 1.1. Introduction -- 1.2. Methods and Models -- 1.2.1. Molecular Dynamics Simulations -- 1.2.2. The Rigid Ion Model -- 1.2.3. The Polarizable Ion Model -- 1.2.4. Interaction Potential Parameterization -- 1.2.5. Calculated Quantities -- 1.3. Structure of Molten Salts -- 1.4. Dynamic Properties of Molten Salts -- 1.4.1. Viscosity -- 1.4.2. Thermal Conductivity -- 1.4.3. Diffusion Coefficients -- 1.4.4. Electrical Conductivity -- 1.5. Conclusion -- Acknowledgment -- References -- Chapter 2: Raman Spectroscopy and Pulsed Neutron Diffraction of Molten Salt Mixtures Containing Rare-Earth Trichlorides: ... -- 2.1. Introduction -- 2.2. Experimental -- 2.3. Results and Discussion -- 2.3.1. Raman Spectroscopy -- 2.3.2. Pulsed Neutron Diffraction -- 2.3.2.1. CsCl-NaCl System -- 2.3.2.2. CsCl-NaCl-LaCl3 System -- 2.3.2.3. CsCl-NaCl-YCl3 System -- 2.4. Conclusions -- References -- Chapter 3: In Situ Spectroscopy in Molten Fluoride Salts -- 3.1. Introduction -- 3.2. Experimental Techniques: Specificity, Limitation, Setup -- 3.2.1. Raman Spectroscopy -- 3.2.2. Nuclear Magnetic Resonance Spectroscopy -- 3.2.3. X-Ray Scattering and Extended X-Ray Absorption Fine Structure Spectroscopy -- 3.3. Spectroscopic Studies of Molten Fluorides -- 3.3.1. Alkali Fluorides -- 3.3.2. Alkaline-Earth Fluorides and Other Divalent Cation Fluorides -- 3.3.3. Fluoroaluminates -- 3.3.4. Rare Earth Fluorides -- 3.3.5. Zirconium and Thorium Fluorides -- 3.4. Conclusion -- References -- Chapter 4: Thermodynamic Calculations of Molten-Salt Reactor Fuel Systems -- 4.1. Introduction -- 4.2. Development of Thermodynamic Database -- 4.2.1. Thermodynamic Assessment of the LiF-KF System.

4.2.1.1. Step-Identification of LiF-KF Phase Diagram Shape -- 4.2.1.2. Step-Identification of Known Gibbs Energy Functions -- 4.2.1.3. Step-Calculation with Ideal Solution -- 4.2.1.4. Step-First Estimation of Gxs -- 4.2.1.5. Step-Final Assessment with DeltaSxs -- 4.2.2. Extrapolation of the LiF-NaF-KF Ternary System -- 4.3. Status of ITUs Salt Database -- 4.4. Binary Systems -- 4.4.1. LiF-NaF System -- 4.4.2. LiF-BeF2 System -- 4.4.2.1. NaF-BeF2 System -- 4.4.3. LiF-ThF4 Phase Diagram -- 4.4.4. The LiF-UF4 System -- 4.4.5. ThF4-UF4 System -- 4.4.6. LiF-PuF3 -- 4.4.7. NaF-PuF3 -- 4.4.8. BeF2-PuF3 System -- 4.5. Most Relevant Ternary Systems -- 4.5.1. LiF-NaF-BeF2 System -- 4.5.2. The LiF-ThF4-UF4 System -- 4.5.3. LiF-BeF2-ThF4 System -- 4.5.4. LiF-BeF2-PuF3 System -- 4.5.5. LiF-NaF-PuF3 System -- 4.5.6. NaF-BeF2-PuF3 System -- 4.5.7. LiF-CeF3-ThF4 System -- 4.6. Application of the Database -- 4.6.1. Example1 -- 4.6.2. Example2 -- 4.6.3. Example3 -- 4.6.4. Example4 -- 4.7. Summary -- References -- Chapter 5: Ionic Transport in Molten Salts -- 5.1. Introduction -- 5.2. Electric Conductance -- 5.2.1. Definition of Some Properties Concerning Electric Conductance -- 5.2.2. Experimental Method for Internal Mobility Measurement -- 5.2.3. The Chemla Effect and a Standard System for Mobility -- 5.2.4. Other Charge Symmetric Binary Cation Systems -- 5.2.4.1. Monovalent Binary Cation Systems with a Common Anion -- 5.2.4.2. Charge Symmetric Multivalent Binary Systems with a Common Anion -- 5.2.4.2.1. Divalent Cation System: (Ca, Ba)1/2Cl -- 5.2.4.2.2. Trivalent Cation Systems: (Y, La)1/3Cl and (Y, Dy)1/3Cl -- 5.2.5. Charge Asymmetric Binary Systems with a Common Anion -- 5.2.6. Calculated Internal Mobility and Self-Exchange Velocity (SEV) -- 5.2.7. Dynamic Dissociation Model for Mobilities -- 5.2.7.1. The Agitation Effect -- 5.2.7.2. The Free Space Effect.

5.2.7.3. The Tranquilization Effect -- 5.3. Concluding Remarks -- References -- Chapter 6: Salt Bath Thermal Treating and Nitriding -- 6.1. Introduction -- 6.2. General Aspects of Molten Salt Heat Treating -- 6.2.1. Characteristics of Treatment -- 6.2.2. Salt Containers -- 6.2.3. Heating Systems -- 6.2.4. Surface Coatings -- 6.3. Steel Nitriding -- 6.3.1. General Information -- 6.3.2. Nitriding of Pure Iron -- 6.3.3. A Real Case: Steel Nitriding -- 6.3.3.1. Carbon -- 6.3.3.2. Metallic Alloying Elements -- 6.3.3.3. Hardness Profile -- 6.3.3.3a. Processing Time -- 6.3.3.3b. Temperature -- 6.3.3.3c. Cooling Rate -- 6.3.3.3d. Alloying Elements -- 6.3.3.3.e. Metallurgical state of the substrate -- 6.3.4. Growing of Compound Layers -- 6.4. Salt Bath Nitriding -- 6.4.1. Thermodynamic Properties of Salt Mixtures -- 6.4.2. Aerated Baths -- 6.4.3. Electrode Potential -- 6.4.4. Electrochemical Nitriding -- 6.4.5. Composition of Molten Baths -- 6.5. Conclusion -- References -- Chapter 7: Catalysis in Molten Ionic Media -- 7.1. Introduction -- 7.1.1. Historical Development -- 7.1.2. Scope -- 7.1.3. The SO2 Oxidation Molten Salt Catalyst: Process and Research Challenges and Previews Surveys -- 7.2. Physicochemical Properties of the Catalyst Model System -- 7.2.1. Densities -- 7.2.2. Thermal Properties -- 7.2.3. Electrical Conductivities -- 7.3. Phase Diagrams of Molten Binary Systems of Relevance to the SO2 Oxidation Catalyst -- 7.4. Multi-instrumental Investigations and Complex Formation in Catalyst Model Melts -- 7.4.1. Formation of V(V) Complexes -- 7.4.2. Formation of V(IV) Complexes -- 7.5. Activity and Deactivation of SO2 Oxidation Vanadia-Pyrosulfate Bulk Melts and Supported Molten Salts: Formation of C ... -- 7.6. Vanadium Crystalline Compound Formation: A Summary of Structural and Vibrational Properties and Implications of Cata ...

7.7. In Situ Spectroscopy of Catalyst Models and Industrial Catalysts -- 7.8. Mechanism of the SO2 Oxidation Catalytic Reaction -- 7.9. Concluding Remarks -- References -- Chapter 8: The Ability of Molten Carbonate for Gas Cleaning of Biomass Gasification -- 8.1. Introduction -- 8.2. Gas-Cleaning Method -- 8.3. Desulfurization Using Molten Carbonate -- 8.3.1. Desulfurization Tests Under Simulated Gas Conditions -- 8.3.1.1. Relationship Between Desulfurization and Temperature -- 8.3.1.2. Relationship Between Desulfurization and Gas Composition -- 8.3.1.3. Countermeasures Against the Influence of CO2 on Desulfurization -- 8.3.2. Desulfurization Test Using Biomass Pyrolysis Gas -- 8.4. Dehalogenation Using Molten Carbonate -- 8.5. Tar Cracking -- 8.5.1. Cracking of Benzene -- 8.5.2. Tar Cracking of Biomass Pyrolysis Gas -- 8.6. Power Generation Test with a Molten-Carbonate Fuel Cell -- 8.7. Conclusions -- References -- Chapter 9: Inert Anode Development for High-Temperature Molten Salts -- 9.1. Introduction -- 9.1.1. Background -- 9.1.2. Definition of Inert Anode -- 9.1.3. Candidate Materials -- 9.1.4. Focus of the Chapter -- 9.2. Inert Anode Development in Molten Chlorides -- 9.2.1. Background -- 9.2.2. Thermodynamic Considerations -- 9.2.2.1. Reactions -- 9.2.2.2. Stability of Metals -- 9.2.2.3. Stability of Oxides/Compounds -- 9.2.2.4. Conductivity of Oxide/Compound Layer -- 9.3. Experimental Evaluations -- 9.3.1. Polarization Curves of Metals -- 9.3.2. Solubility Test Results -- 9.4. Carbon as an Inert Anode in the Absence of Oxygen in Molten Chlorides -- 9.5. Inert Anode Development in Molten Oxides -- 9.6. Inert Anode for Molten Carbonate Electrolysis -- 9.7. Perspectives -- References -- Chapter 10: Boron-Doped Diamond Electrodes in Molten Chloride Systems -- 10.1. Introduction -- 10.1.1. Molten Salts Containing Oxide Ions.

10.1.2. Inert Oxygen Evolution Electrode: A Boron-Doped Diamond Electrode -- 10.2. Stability of a Boron-Doped Diamond Electrode in Molten Chloride Systems -- 10.2.1. Thermal Stability of a Boron-Doped Diamond -- 10.2.2. Oxygen Gas Evolution on a Boron-Doped Diamond Electrode in Various Melts -- 10.2.3. Electrochemical Stability in a LiCl-KCl Eutectic Melt -- 10.2.4. Dependence of Electrochemical Stability on Melt Compositions -- 10.3. Thermodynamics of Oxygen Electrode Reaction on a Boron-Doped Diamond Electrode -- 10.3.1. Standard Formal Potential of O2/O2- -- 10.3.2. Change of Gibbs Free Energy, Entropy, Enthalpy -- 10.3.3. Activity Coefficient of Oxide Ion -- 10.4. Conclusions -- References -- Chapter 11: NF3 Production from Electrolysis in Molten Fluorides -- 11.1. Introduction -- 11.2. Anodic Behavior of Nickel and Nickel-Based Composite Electrodes in NH4F2HF at 100C for Electrolytic Production of NF3 -- 11.3. Anodic Behavior of Carbon Electrode in NH4FKFmHF (m=3 and 4) at 100C for Electrolytic Production of NF3 -- 11.4. New Development for Electrolytic Production of NF3 Using Boron-Doped Diamond (BDD) Anode -- 11.4.1. Anodic Behavior of BDD Anode in NH4F2HF at 100C for Electrolytic Production of NF3 -- 11.4.2. Effect of Current Density, NH4F Concentration and Ni2+ Additive on Current Efficiency for NF3 Formation in Electr ... -- 11.4.3. Effect of Boron Concentration in Boron-Doped Diamond Layer on Durability of BDD Anode and Current Efficiency for ... -- 11.4.4. Anodic Behavior of Steam-Activated BDD Electrode in a Molten NH4F2HF [61] -- 11.5. Conclusions -- Acknowledgments -- References -- Chapter 12: Corrosion in Molten Salts -- 12.1. Introduction -- 12.2. Corrosion in Molten Fluoride Salts -- 12.2.1. Thermodynamic Considerations -- 12.2.2. Impurity-Driven Corrosion -- 12.2.3. Thermal Gradient-Driven Corrosion.

12.2.4. Dissimilar Material Corrosion.