Table of Contents

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