Georgios M. Kontogeorgis, Georgios Folas

Thermodynamic Models for Industrial Applications (eBook, PDF)

From Classical and Advanced Mixing Rules to Association Theories

• Format: PDF

Produktbeschreibung

Using an applications perspective Thermodynamic Models for Industrial Applications provides a unified framework for the development of various thermodynamic models, ranging from the classical models to some of the most advanced ones. Among these are the Cubic Plus Association Equation of State (CPA EoS) and the Perturbed Chain Statistical Association Fluid Theory (PC-SAFT). These two advanced models are already in widespread use in industry and academia, especially within the oil and gas, chemical and polymer industries. Presenting both classical models such as the Cubic Equations of State and more advanced models such as the CPA, this book provides the critical starting point for choosing the most appropriate calculation method for accurate process simulations. Written by two of the developers of these models, Thermodynamic Models for Industrial Applications emphasizes model selection and model development and includes a useful "which model for which application" guide. It also covers industrial requirements as well as discusses the challenges of thermodynamics in the 21st Century.

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Produktdetails

• Verlag: John Wiley & Sons
• Seitenzahl: 710
• Erscheinungstermin: 15. November 2009
• Englisch
• ISBN-13: 9780470747544
• Artikelnr.: 37298954

Autorenporträt

Georgios M. Kontogeorgis is Associate Professor in the Department of Chemical Engineering at the Technical University of Denmark in Lyngby (Denmark). He received his PhD in Chemical Engineering in the Institut for Kemiteknik at the Technical University of Denmark. He became a Research Associate at the Technical University of Athens (Greece) where he gained his MSc in Chemical Engineering. Professor Kontogeorgis has had a teaching appointment at the Department of Environmental Engineering, Xanthi (Greece) and at the Air Force Academy, Athens (Greece) and he was then co-founder and technical director of the research and software company IGVP Ltd. His awards include the Empirikion Foundation Award for Achievements in Chemistry, the Dana Lim Prize and he is listed in Who's Who in Finance and Industry, Who's Who in Science and Engineering, American Association for Advancement of Science. Professor Kontogeorgis is part of the Steering committee of ESAT (European Seminar of Applied Thermodynamics). His research focuses on four areas: energy, materials and nanotechnology, the environment and biotechnology. Georgios K. Folas was educated at the Technical University of Athens (Greece) where he received an MSc in Chemical Engineering. His Master Thesis was deemed one of the top five MSc theses in chemical engineering for the year 2000 awarded by the Technical Chamber of Greece. He gained his PhD in Chemical Engineering at the Institut for Kemiteknik, Technical University of Denmark. Dr. Folas has been employed as an R&D plastics engineer, Chrostiki S.A and currently works as Senior Flow Assurance Engineer at Aker Kværner Engineering & Technology AS.

Inhaltsangabe

Acknowledgement About the Authors Preface Abbreviations and Symbols
Introduction 1 Thermodynamics for Process and Product Design References
Appendix 1 A Appendix 1B 2 Intermolecular Forces and Thermodynamic Models
2.1 General 2.2 Coulombic and van der Waals forces 2.3 Quasi-chemical
forces with emphasis on hydrogen bonding 2.4 Some applications of
intermolecular forces in model development 2.5 Concluding remarks
References Part A: The Classical Models 3 Cubic Equations of state - The
classical mixing rules 3.1 General 3.2 On the parameter estimation 3.3
Analysis of the advantages and shortcomings of cubic EoS 3.4 Some recent
developments with cubic EoS 3.5 Concluding remarks References Appendix 3A
Appendix 3B 4. Activity coefficient models. Part 1. Random-mixing based
models 4.1 Introduction to the random-mixing models 4.2 Experimental
activity coefficients 4.3 The Margules equation 4.4 From the van der Waals
to van Laar and to the Regular Solution Theory 4.5 Applications of the
Regular Solution Theory 4.6 Solid-Liquid Equilibria with emphasis on Wax
formation 4.7 Asphaltene precipitation 4.8 Concluding Remarks about the
random-based models - In two words References Appendix 4A Appendix 4B
Appendix 4C 5. Activity Coefficient Models. Part 2. Local-composition
models: From Wilson and NRTL to UNIQUAC and UNIFAC 5.1 General 5.2 Overview
of the local composition models 5.3 The theoretical limitations 5.4 Range
of applicability of the LC models 5.5 On the theoretical significance of
the interaction parameters 5.6 Local-composition models - some unifying
concepts 5.7 The group-contribution principle and UNIFAC 5.8 Local
composition - Free Volume models for polymers 5.9 Conclusions. Is UNIQUAC
the best local composition model available today? References Appendix 5A
Appendix 5B Appendix 5C 6. The EoS/GE mixing rules for cubic equations of
state 6.1 General 6.2 The infinite pressure limit (the Huron-Vidal mixing
rule) 6.3 The zero-reference pressure limit (The Michelsen approach) 6.4
Successes and limitations of zero reference pressure models 6.5 The
Wong-Sandler (WS) mixing rule 6.6 EoS/GE approaches suitable for asymmetric
mixtures 6.7 Applications of the LCVM, MHV2, PSRK and WS mixing rules 6.8
Cubic Equations of State for polymers 6.9 Conclusions.Achievements and
Limitations of the EoS/GE models 6.10 Recommended models - so far
References Appendix 6A Part B: Advanced Models and their Applications 7.
Association theories and models - and the role of spectroscopy 7.1
Introduction 7.2 Three different association theories 7.3 The Chemical and
Perturbation Theories 7.4 Spectroscopy and Association theories 7.5
Concluding remarks References Appendix 7A Appendix 7B 8. The Statistical
Associating Fluid Theory (SAFT) 8.1 The SAFT EoS - history and major
developments, a fast look 8.2 The SAFT equations 8.3 Parameterization of
SAFT 8.4 Applications of SAFT to non-polar molecules 8.5 Group-contribution
(GC) SAFT approaches 8.6 Concluding remarks References Appendix 8A Appendix
8B 9. The Cubic-Plus-Association (CPA) equation of state 9.1 Introduction
9.2 The CPA Equation of State 9.3 Parameter estimation - Pure compounds 9.4
The first applications 9.5 Conclusions References Appendix 9A Appendix 9B
Appendix 9C Appendix 9D 10. Applications of CPA to the oil and gas industry
10.1 General 10.2 Glycol - water - hydrocarbon phase equilibria 10.3 Gas
hydrates 10.4 Gas phase water content calculations 10.5 Mixtures with acid
gases CO2 and H2S 10.6 Reservoir fluids 10.7 Conclusions References 11.
Applications of CPA to chemical industries 11.1 Introduction 11.2 Aqueous
mixtures with heavy alcohols 11.3 Amines and Ketones 11.4 Mixtures with
organic acids 11.5 Mixtures with ethers and esters 11.6 Multifunctional
chemicals - glycolethers and alkanolamines 11.7 Complex aqueous mixtures
11.8 Concluding remarks References Appendix 11A 12. Extension of CPA and
SAFT to new systems: Worked out examples and guidelines 12.1 Introduction
12.2 The case of sulfolane - CPA application 12.3 Application of sPC-SAFT
to sulfolane related systems 12.4 Applicability of association theories and
cubic EoS with advanced mixing rules (EoS/GEmodels) to polar chemicals 12.5
Phenols 12.6 Conclusions References 13. Applications of SAFT to polar and
associating mixtures 13.1 Introduction 13.2 Water-hydrocarbons 13.3
Alcohols, amines and alkanolamines 13.4 Glycols 13.5 Organic Acids 13.6
Polar non-associating compounds 13.7 Flow assurance (asphaltenes and gas
hydrate inhibitors) 13.8 Concluding Remarks References 14. Applications of
SAFT to polymers 14.1 Overview 14.2 Estimation of parameters for polymers
for SAFT-type equations of state 14.3 Low pressure phase equilibria (VLE
and LLE) using simplified PC-SAFT 14.4 High pressure phase equilibria 14.5
Co-polymers 14.6 Concluding remarks References Appendix 14A Appendix 14B