Developments and Applications in Solubility

Part One: THEORY, TECHNIQUES AND RESULTS;

Chapter 1: Thermodynamics of Nonelectrolyte Solubility;

1: Introduction;

2: Thermodynamics;

3: Subtleties of Approximation;

4: Concluding Remarks;

Chapter 2: Thermodynamics of Electrolyte Solubility;

1: Introduction;

2: The Solubility Product;

3: Ion Pairing;

4: Complexation;

5: Electrolye Activities;

6: Pitzer Theory;

7: Treatment of Non-Aqueous or Mixed Aqueous Solvents;

Chapter 3: Experimental, Calculated and Predicted Solubilities - Basis for the Synthesis and Design of Thermal Separation Processes;

1: Introduction;

2: Thermodynamic Fundamentals;

3: Available Solubility Data;

Software Package (DDBSP);

4: Conclusion;

Chapter 4: Solubility of Gases in Ionic Liquids, Aqueous Solutions and Mixed Solvents;

1: Introduction;

2: Fundamentals;

3: Experimental Arrangements;

Apparatus for measuring the solubility of a single gas in a solvent at elevated pressures;

Apparatus for measuring the simultaneous solubility of ammonia and a sour gas in a solvent at elevated pressures;

Apparatus for measuring the solubility of a sour gas in aqueous solutions of amines at low pressures;

4: Experimental Results and Comparison with Predictions/Correlations;

Gas solubility in ionic liquids;

Gas solubility in aqueous solutions of strong electrolytes;

Solubility of ammonia and sour gases in water and aqueous solutions of strong electrolytes;

Solubility of sour gases in aqueous solutions of amines;

Gas solubility in mixed solvents (water + organic compounds);

Gas solubility in mixed solvents (water + organic compound + strong electrolyte);

Chapter 5: SOLUBILITY PHENOMENA IN "GREEN" QUATERNARY MIXTURES (Ionic Liquid + Water + Alcohol + CO2);

1: Introduction;

2: Liquid-Liquid Equilibria: Co-solvent effects in Ternary Mixtures;

3: Liquid-Liquid-Vapour Equilibria: The CO2 anti-solvent effect.;

4: Quaternary systems IL + water + alcohol + CO2;

Cascade of phase changes as switching devices for integrated reaction + separation;

Chapter 6: The Solubility of Gases in Water and Seawater;

1: Introduction;

2: Quantities Used as a Measure of Gas Solubility;

3: Oxygen Solubility in Water;

4: Two Related Experiments that Complement Gas Solubility Data;

5: Treatment of Data;

6: The Solubility of Gases in Water;

7: Annotated Bibliography of the Solubility of Gases in Water;

8: Annotated Bibliography of the Solubility of Gases in Seawater;

9: Summary;

Chapter 7: Isotope Effects on Solubility;

1: Introduction;

2: Theoretical Background;

3: Liquid-Liquid Equilibria;

3.1: Small Molecule Solutions Including Aqueous Systems;

3.2: Polymer Systems and Polymer Solutions;

4: Solubility of Gases in Liquids;

5: Solubility of Ionic Solids in H2O/D2O;

Chapter 8: Solubility of Organic Solids for Industry;

1: Introduction;

2: Solubility in Binary Systems;

1.1: Solid-Liquid Equilibria in Binary Systems;

1.2: Liquid-Liquid Equilibria in Binary Systems;

3: Solubility in Ternary Systems;

3.1: Solubility of Solids in Binary Solvent Mixtures;

3.2: Solubility of Mixtures of Two Solids in a Solvent;

3.3: Liquid-Liquid Equilibria in Ternary Systems;

4: Correlation Methods;

5: Prediction Methods;

6: High Pressure Solid-Liquid Equilibria;

7: Polymers Solubility;

8: Ionic Liquids Solubility;

Chapter 9: CO2 Solubility in Alkylimidazolium-Based Ionic Liquids;

1: Introduction;

Symbolism;

2: Phase Behaviour;

3: Molecular Interactions;

4: Effect of Anion;

5: Effect of Cation Alkyl Chain Length;

6: Substitution in C2 Position;

7: Effects of Impurities;

8: Conclusions and Summary;

Part Two: MODELLING AND SIMULATION;

Chapter 10: Solubility and Molecular Modelling;

1: Introduction;

2: Thermodynamics of Solution;

3: Modelling Solubility;

Molecular Force Fields;

Free Energy Routes;

4: Solute-Solvent Interactions in Ionic Liquids;

5: Conclusion;

Chapter 11: Molecular Simulation Approaches to Solubility;

1: Introduction;

2: Solubility;

3: Computing Solubility for the Infinite Dilution Limit;

Thermodynamic Integration;

Free Energy Perturbation;

Expanded Ensembles;

Transition Matrix Monte Carlo;

Gibbs Ensemble;

Continuum Solvation Models;

4: Computing the Solubility Limit;

5: Finite Size Effects;

Chapter 12: Prediction of Solubility with COSMO-RS;

1: Introduction;

2: COSMO-RS;

3: Computational Details;

4: Solubility;

5: Salt Solubility;

6: Summary and Conclusions;

Part Three: INDUSTRIAL APPLICATIONS;

Chapter 13: Solubility of impurities in cryogenic liquids;

1: Introduction;

2: Loss of Prevention in Cryogenic Plants;

3: Experimental Methods;

Synthetic-Optical Method;

Evaporation Method;

The static-analytical methods: spectroscopic analysis;

The static-analytical methods: Chromatographic analysis;

4: Review of Literature data;

5: Conclusions;

Chapter 14: Solubility of BTEX and Acid Gases in Alkanolamine Solutions in relation to the Environment;

1: Introduction;

2: Choice of Amine;

3: Experimental Techniques;

4: Experimental Results;

5: Thermodynamics Frameworks;

6: Conclusion;

Chapter 15: Solubility of Solids in Bayer Liquors;

1: Introduction;

2: Pitzer Equation;

3: Comprehensive Pitzer Model for Synthetic Bayer liquors;

4: Model Validation and Solubilities in Multi-component Systems;

5: Conclusion;

Chapter 16: Solubility of Gases in Polymers;

1: Introduction;

2: Experimental Measurements of Gas Solubility;

2.1: Gravimetric Techniques;

2.2: Vibration or Oscillating Techniques;

2.3: PVT-Techniques and the Pressure Decay Method;

2.4: Gas Flow Techniques;

2.5: The Coupled VW-PVT-Technique;

3: Experimental Evaluation of Gas-Polymer Interactions and Thermophysical Properties;

4: Importance of Solubility and Associated Properties for Industrial Applications;

5: Conclusion;

Chapter 17: Solubility in the Hydrometallurgical Leaching Process;

1: Mineral Processing by Aqueous Solutions;

2: Dissolution of Sulphidic Zinc Concentrate and Gas-Liquid Mass Transfer;

3: Oxygen Solubility;

4: Solubilities of Solids in Process Solutions;

5: Concluding Remarks;

Chapter 18: Solubility Related to Reaction and Process Design;

1: Introduction;

2: Educt Purification and Additive Introduction;

Example 1 -Polyurethane Foam Quality;

3: Reaction Design;

Example 2 - Polyether Reaction Design;

Example 3 - Chloroformate Reaction Design;

Example 4 - Formaldahyde Production;

Example 5 - Polyester Reaction Design;

4: Separation Processes;

Example 6 - Furfural Production;

5: Surprising effects of Solubilities;

Example 7 - Polyether Reaction Design;

Example 8 - FID Alarm in Fermentation Reactor;

6: Conclusion;

Chapter 19: Measurements and modelling solid solubilities in supercritical phases: application to a pharmaceutical molecule, eflucimibe;

1: Introduction;

2: Experimental - Equipment and Procedures;

3: Solubility in pure CO2;

4: Ethanol and DMSO co-solvent effects;

5: Modelling;

6: Extension of the Chrastil Model;

7: Generalizing the Mendoz-Santiago-Teja Model;

8: Conclusion;

Chapter 20: Solubility in Food, Pharmaceutical and Cosmetic Industries;

1: Industrial Importance;

2: Water Solubility;

3: Organic and Mixed Solvent Solubility;

4: Liquid-Liquid Solubility;

5: Solubility in Supercritical Fluids;

6: Conclusions;

Chapter 21: Solubility of Solids in Radioactive Waste Repositories;

1: Introduction;

2: The safety concept of a geological repository;

3: Solubility of solids in repository safety assessments;

What is the composition of the solution?;

Which are the relevant thermodynamic data?;

Which are the relevant solid phases?;

Chapter 22: Carbon Dioxide in Chemical Processes;

1: Applications of CO2;

2: Carbon Dioxide in Multiphase Aqueous Systems;

3: Applications in the Process Industries;

4: Dynamic Systems;

5: Concluding Remarks;

Chapter 23: SOLUBILITY AND THE OIL INDUSTRY;

1: Introduction;

2: Theory;

3: Experimental methods;

4: Literature review;

4.1: Gases in liquids;

4.2: Liquids in gases;

4.3: Liquids in liquids;

4.4: Gases in solids;

4.5: Solids in gases;

4.6: Solids in liquids;

4.7: Gases, liquids and solids;

5: New results;

Chapter 24: Solubility of Inorganic Salts and their Industrial Importance;

1: Introduction;

2: Oceanic Salts;

2.1: Production of K2SO4;

2..2: Solution mining of Carnallite;

3: Salts from non-Oceanic Salt Lakes;

4: Salt Phase Formation in Building Materials;

5: Salt Hydrates for Heat Storage