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Thermodynamic Models for Industrial Applications From Classical and Advanced Mixing Rules to Association Theories

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ISBN-10: 0470697261

ISBN-13: 9780470697269

Edition: 2010

Authors: Georgios M. Kontogeorgis, Georgios K. Folas

List price: $115.95
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Description:

This text gives a critical presentation of the most common thermodynamic models and highlights the practical advantages, giving recommendations for different applications. It includes worked examples of how the models can be extended to new systems, and provides review tables with the parameters of advanced association models. This resource provides an easy-to-use guide for process engineers without expertise in thermodynamics.
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Book details

List price: $115.95
Copyright year: 2010
Publisher: John Wiley & Sons, Limited
Publication date: 1/12/2010
Binding: Hardcover
Pages: 728
Size: 7.70" wide x 9.86" long x 1.78" tall
Weight: 3.366
Language: English

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