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| Acknowledgement | |
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| About the Authors | |
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| Preface | |
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| Abbreviations and Symbols | |
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| Introduction | |
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| Thermodynamics for Process and Product Design | |
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| References | |
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| Intermolecular Forces and Thermodynamic Models | |
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| General | |
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| Coulombic and van der Waals forces | |
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| Quasi-chemical forces with emphasis on hydrogen bonding | |
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| Some applications of intermolecular forces in model development | |
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| Concluding remarks | |
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| References | |
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| The Classical Models | |
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| Cubic Equations of state - The classical mixing rules | |
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| General | |
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| On the parameter estimation | |
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| Analysis of the advantages and shortcomings of cubic EoS | |
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| Some recent developments with cubic EoS | |
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| Concluding remarks | |
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| References | |
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| Activity coefficient models. Part 1. Random-mixing based models | |
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| Introduction to the random-mixing models | |
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| Experimental activity coefficients | |
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| The Margules equation | |
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| From the van der Waals to van Laar and to the Regular Solution Theory | |
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| Applications of the Regular Solution Theory | |
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| Solid-Liquid Equilibria with emphasis on Wax formation | |
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| Asphaltene precipitation | |
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| Concluding Remarks about the random-based models - In two words | |
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| References | |
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| Activity Coefficient Models. Part 2. Local-composition models From Wilson and NRTL to UNIQUAC and UNIFAC | |
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| General | |
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| Overview of the local composition models | |
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| The theoretical limitations | |
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| Range of applicability of the LC models | |
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| On the theoretical significance of the interaction parameters | |
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| Local-composition models - some unifying concepts | |
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| The group-contribution principle and UNIFAC | |
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| Local composition - Free Volume models for polymers | |
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| Conclusions. Is UNIQUAC the best local composition model available today? | |
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| References | |
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| The EoS/G<sup>E</sup> mixing rules for cubic equations of state | |
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| General | |
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| The infinite pressure limit (the Huron-Vidal mixing rule) | |
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| The zero-reference pressure limit (The Michelsen approach) | |
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| Successes and limitations of zero reference pressure models | |
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| The Wong-Sandler (WS) mixing rule | |
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| EoS/GE approaches suitable for asymmetric mixtures | |
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| Applications of the LCVM, MHV2, PSRK and WS mixing rules | |
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| Cubic Equations of State for polymers | |
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| Conclusions.Achievements and Limitations of the EoS/G<sup>E</sup> models | |
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| Recommended models - so far | |
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| References | |
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| Advanced Models and their Applications | |
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| Association theories and models - and the role of spectroscopy | |
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| Introduction | |
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| Three different association theories | |
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| The Chemical and Perturbation Theories | |
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| Spectroscopy and Association theories | |
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| Concluding remarks | |
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| References | |
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| The Statistical Associating Fluid Theory (SAFT) | |
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| The SAFT EoS - history and major developments, a fast look | |
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| The SAFT equations | |
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| Parameterization of SAFT | |
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| Applications of SAFT to non-polar molecules | |
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| Group-contribution (GC) SAFT approaches | |
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| Concluding remarks | |
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| References | |
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| The Cubic-Plus-Association (CPA) equation of state | |
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| Introduction | |
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| The CPA Equation of State | |
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| Parameter estimation - Pure compounds | |
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| The first applications | |
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| Conclusions | |
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| References | |
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| Applications of CPA to the oil and gas industry | |
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| General | |
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| Glycol - water - hydrocarbon phase equilibria | |
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| Gas hydrates | |
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| Gas phase water content calculations | |
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| Mixtures with acid gases CO<sub>2</sub> and H<sub>2</sub>S | |
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| Reservoir fluids | |
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| Conclusions | |
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| References | |
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| Applications of CPA to chemical industries | |
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| Introduction | |
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| Aqueous mixtures with heavy alcohols | |
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| Amines and Ketones | |
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| Mixtures with organic acids | |
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| Mixtures with ethers and esters | |
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| Multifunctional chemicals - glycolethers and alkanolamines | |
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| Complex aqueous mixtures | |
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| Concluding remarks | |
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| References | |
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| Extension of CPA and SAFT to new systems Worked out examples and guidelines | |
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| Introduction | |
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| The case of sulfolane - CPA application | |
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| Application of sPC-SAFT to sulfolane related systems | |
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| Applicability of association theories and cubic EoS with advanced mixing rules (EoS/G<sup>E</sup>models) to polar chemicals | |
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| Phenols | |
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| Conclusions | |
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| References | |
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| Applications of SAFT to polar and associating mixtures | |
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| Introduction | |
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| Water-hydrocarbons | |
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| Alcohols, amines and alkanolamines | |
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| Glycols | |
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| Organic Acids | |
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| Polar non-associating compounds | |
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| Flow assurance (asphaltenes and gas hydrate inhibitors) | |
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| Concluding Remarks | |
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| References | |
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| Applications of SAFT to polymers | |
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| Overview | |
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| Estimation of parameters for polymers for SAFT-type equations of state | |
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| Low pressure phase equilibria VLE and LLE using simplified | |
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| PC-SAFT | |
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| High pressure phase equilibria | |
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| Co-polymers | |
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| Concluding remarks | |
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| References | |
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