Thermodynamic Models for Industrial Applications

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.

Auteur
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.

Texte du rabat
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.

Contenu
Preface. About the Authors.

Acknowledgments.

List of Abbreviations.

List of Symbols.

PART A INTRODUCTION.

1 Thermodynamics for Process and Product Design.

Appendix.

References.

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 B 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.

Appendix.

References.

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 and van Laar equation to the regular solution theory.

4.5 Applications of the Regular Solution Theory.

4.6 SLE with emphasis on wax formation.

4.7 Asphaltene precipitation.

4.8 Concluding remarks about the random-mixing-based models.

Appendix.

References.

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 LC models: some unifying concepts.

5.7 The group contribution principle and UNIFAC.

5.8 Local-composition-freevolume models for polymers.

5.9 Conclusions: is UNIQUAC the best local composition model available today?

Appendix.

References.

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 WongSandler (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 EoS for polymers.

6.9 Conclusions: achievements and limitations of the EoS/ GE models.

6.10 Recommended models so far.

Appendix.

References.

PART C ADVANCED MODELS AND THEIR APPLICATIONS.

7 Association theories and models: 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.

Appendix.

References.

8 The Statistical Associating Fluid Theory (SAFT).

8.1 The SAFT EoS: a brief look at the history and major developments.

8.2 The SAFT equations.

8.3 Parameterization of SAFT.

8.4 Applications of SAFT to non-polar molecules.

8.5 GC SAFT approaches.

8.6 Concluding remarks.

Appendix.

References.

9 The Cubic-Plus-Association equation of state.

9.1 Introduction.

9.2 The CPA EoS.

9.3 Parameter estimation: pure compounds. 9.4 The First applications.</p&gt...