Gmehling Jurgen - Chemical Thermodynamics for Process Simulation

1. Chapter 2
2. Chapter 3
3. Chapter 4
4. Chapter 5
5. Chapter 6
6. Chapter 7
7. Chapter 8
8. Chapter 10
9. Chapter 11
10. Chapter 12
11. Chapter 13
12. Chapter 14

1. Chapter 2
2. Chapter 3
3. Chapter 4
4. Chapter 5
5. Chapter 6
6. Chapter 7
7. Chapter 8
8. Chapter 9
9. Chapter 10
10. Chapter 11
11. Chapter 12
12. Chapter 13
13. Chapter 14
14. Chapter 15
15. Chapter 16

Second, Completely Revised and Enlarged Edition

Authors

Prof. Dr. Jrgen Gmehling

Carl von Ossietzky Univ. Oldenburg

Fakultt V Mathematik und Naturwissenschaften

Institut fr Chemie Technische Chemie

26111 Oldenburg

Germany

Dr.Ing. Michael Kleiber

thyssenkrupp Industrial Solutions AG

FriedrichUhdeStr. 2

65812 Bad Soden

Germany

Dr.Ing. Brbel Kolbe

thyssenkrupp Industrial Solutions AG

now retired

Germany

Dr. Jrgen Rarey

Carl von Ossietzky Univ. Oldenburg

Fakultt V Mathematik und Naturwissenschaften

Institut fr Chemie Technische Chemie

26111 Oldenburg

Germany

Cover The cover image was kindly provided by Mark Gmehling

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Print ISBN: 9783527343256

ePDF ISBN: 9783527809455

ePub ISBN: 9783527809448

oBook ISBN: 9783527809479

Cover DesignSCHULZ GrafikDesign, Fugnheim, Germany

More than 20years ago, the first edition of the textbook Thermodynamics was published in German language.

Its target was to demonstrate the basic principles, how thermodynamics can contribute to solve manifold kinds of problems in gas, oil, and chemical processing, in pharmaceutical and food production, in environmental industry, in plant design by engineering companies, and also for institutions dealing with hazardous materials like the fire brigade, transport companies, or the technical supervisory associations. For all these purposes, it is often decisive to have a profound knowledge of the thermophysical properties, transport properties, phase equilibria, and chemical equilibria. Therefore, a large part of the first edition and also of this completely new edition is dedicated to the evaluation of these quantities. The mentioned properties are also helpful in the evaluation of nonequilibrium properties such as kinetic data and reaction rates, which are not subject of this book.

Databases filing published experimental physical properties and phase equilibrium data are a prerequisite for developing thermodynamic models and for determining reliable model parameters, which describe the problem to be solved with adequate accuracy. A long way has been covered since the beginning of the professional filing of phase equilibrium data. Starting with a few hundred compounds in 1973, pure component and mixture properties for more than 74000 components can now be found in the Dortmund Data Bank ( DDB ). A great step forward in modeling was the further development of the solution of group concept, which makes the prediction of, for example, phase equilibria possible. A lot of experimental work was performed to systematically fill the gaps where no data for the determination of group interaction parameters were available. Together with the fastdeveloping computer technology and on the basis of professional databases like the DDB, process simulators nowadays allow rapid calculation of phase equilibria, transport properties, caloric data, various thermophysical properties, and chemical equilibria. Even the thermodynamics of large industrial processes is routinely modeled using commercial process simulators. While a large variety of models and model options can be selected by a simple mouse click, the task of the engineer or chemist remains to choose the most appropriate model, and one should be aware of its accuracy, its possible limitations, and the quality of the model parameters for the system of interest. A thorough understanding of thermodynamics is still obligatory; otherwise misconceptions of processes or design errors are the consequences.

The new edition of the textbook, now written in the English language, is called Chemical Thermodynamics for Process Simulation. It specifically targets readers working in the fields of process development, process synthesis, or process optimization and therefore presents the fundamentals of thermodynamics not only for students but also on the level required for experienced process engineers. The most important models that are applied in process industry are thoroughly explained, as well as their adjustment with the help of factual databases (data regression). Cubic equations of state with gE mixing rules present a great step forward toward a universal model for both subcritical and supercritical systems and are therefore emphasized.

In addition, models for special substances like carboxylic acids, hydrogen fluoride, formaldehyde, electrolytes, and polymers are introduced, and the capabilities of highprecision equations of state and various predictive methods are explained. Recommendations for the parameter fitting procedure and numerous hints to avoid pitfalls during process simulation are given. Because of the space limitation in the book, we were not able to cover the whole range of thermodynamics, for example, adsorption has been left out completely as it cannot be presented within a short chapter.

The English language was chosen to extend the readership to students and engineers from all over the world. Although none of the authors is a native speaker, we found it even more convenient to describe the particular issues in the language generally used in scientific publications.

The team of four authors with considerably different backgrounds reflects the importance of thermodynamics in both academia and industrial applications. The authors present their biography and special research interests on separate pages following this preface.