ProSim recommends the following works:
“Select Thermodynamic Models for Process Simulation. A practical Guide using a Three Steps Methodology”
Jean-Charles de Hemptinne, Jean-Marie Ledanois, Pascal Mougin, Alain Barreau, Editions Technip
The sélection of the most adequate thermodynamic model in a process simulation is an issue that most process engineer has to face sonner or later. This book, conceived as a practical guide, aims at providing adequate answers by analysing the questions to be looked at. The analysis (first chapter) yields three keys that are further discussed in three différent chapters. A good understanding of the properties required in the process, and their method of calculation is the first key. The second chapter provides to that end in a synthetic manner the most important équations that are derived from the fundamental principles of thermodynamics. An adequate description of the mixture, which is a combination of models and parameters, is the second key. The third chapter makes the link between components and models, both from a numerical (parameterisation) and physical (molecular interactions) point of view. Finally, a correct view of the phase behaviour and trends in regard of the process conditions is the third key. The fourth chapter illustrates the phase behaviour and makes model recommendations for the most significant industriel systems. A décision tree is provided at the end of this chapter. In the lest chapter, the key questions are reviewed for a number of typical processes. This book is intended for process engineers, who are net specialists of thermodynamics but are confronted with this kind of problems and need a référence book, as well as process engineering students Who will find an original approach to thermodynamics, complementary of traditional lectures.
“Thermodynamics – Fundamentals for Applications”
John P. O’Connell, J.M. Haile, Cambridge University Press.
Thermodynamics: Fundamentals for Applications is a text for a first graduate course in chemical engineering. The focus is on macroscopic thermodynamics; discussions of modeling and molecular situations are integrated throughout. Underpinning this text is the knowledge that while thermodynamics describes natural phenomena, those descriptions are the products of creative, systematic minds. Nature unfolds without reference to human concepts of energy, entropy, or fugacity. Natural complexity can be organized and studied by thermodynamics methodology. The power of thermodynamics can be used to advantage if the fundamentals are understood. This text’s emphasis is on fundamentals rather than modeling. Knowledge of the basics will enhance the ability to combine them with models when applying thermodynamics to practical situations. While the goal of an engineering education is to teach effective problem solving, this text never forgets the delight of discovery, the satisfaction of grasping intricate concepts, and the stimulation of the scholarly atmosphere.
“Chemical Thermodynamics for Process Simulation”
Jürgen Gmehling, Bärbel Kolbe, Michael Kleiber and Jürgen Rarey, Wiley-VCH
This is the only book to apply thermodynamics to real-world process engineering problems, explaining the thermodynamics behind simulations from the view of academic and industrial authors to users of simulation programs. It comprises numerous solved examples, which simplify the understanding of the often complex calculation procedures, and discusses their advantages and disadvantages. The text also includes such special models as for formaldehyde, polymers, and associating compounds. Estimation methods for thermophysical properties and phase equilibria and thermodynamics of alternative separation processes are covered, as are new developments from recent years.
Recipes for the procedure are given at the end of each chapter, and further small programs are available via the Internet, such as MathCad and Excel files.
While written for an advanced level, the text is easy to understand for every chemical engineer and chemist with a basic education in thermodynamics and phase equilibria, teaching students the engineering perspective of thermodynamics but also of interest to all companies active in chemistry, pharmacy, oil and gas processing, petrochemistry, refinery, food production, environmental protection and engineering.
“Thermodynamics : Applications in Chemical Engineering and the Petroleum Industry”
Jean Vidal, Technip Editions, 2003
The simulation and optimization of processes assumes that the thermodynamic properties and phase equilibria of the mixtures concerned are well known. This knowledge is still based upon experimentation, but it is also the result of calculation methods based on the principles of thermodynamics that govern them, insure their coherence, and confer upon them a wide range of application. This text is concerned primarily with the description of these methods and their evolution. It is addressed to the student who wishes to apply the general principles he has learned, and to the engineer confronted with a choice, perhaps a difficult one, of the most appropriate method to solve his problem. This textbook devotes extensive space to fundamental concepts. It also places particular emphasis on the “models” that, although based on simplified concepts of the subject matter at the molecular level, have a “predictive” character. Computational examples are used to explain the application of these concepts and models. A comprehensive bibliography allows the reader to broaden the understanding he has acquired from this text. These calculation models are not perfect. Future progress makes thermodynamics as applied to chemical engineering an evolving discipline. The engineer must keep abreast of this progress and evaluate it intelligently.
“The properties of Gases and Liquids”
B.E. Poling, J.M. Prausnitz, J.P. O’Connell, Mc Graw Hill, 5th Edition
Completely rewritten and reorganized to reflect the latest developments in estimating the properties of gases and liquids, this new edition of the highly regarded reference presents a comprehensive survey of the most reliable estimation methods in use today. It provides instantly usable information on estimating both physical and thermodynamic properties when experimental data are not available (for example, constants such as critical temperature, critical pressure, acentric factor, and others); thermodynamic properties of gases and liquids, both pure and mixtures, including enthalpies, entropies, fugacity coefficients, heat capacities, and critical points; vapor-liquid and liquid-liquid equilibria as needed in separation operations such as distillation, absorption, and extraction. An invaluable reference that provides property values for more than 600 pure chemicals, this is the only book in its field to include a critical analysis of existing methods as well as practical recommendations.
“Perry’s Chemical Engineers’ Handbook”
R. H. Perry, D. W. Green, Mc Graw Hill, 8th Edition
First published in 1934, Perry’s Chemical Engineers’ Handbook has equipped generations of engineers and chemists with an expert source of chemical engineering information and data. Now updated to reflect the latest technology and processes of the new millennium, the Eighth Edition of this classic guide provides unsurpassed coverage of every aspect of chemical engineering-from fundamental principles to chemical processes and equipment to new computer applications.
“Introduction to Chemical Engineering Thermodynamics”
Smith, Van Ness, Abbott, Mc Graw Hill, 5th Edition
Introduction to Chemical Engineering Thermodynamics, 6/e, presents comprehensive coverage of the subject of thermodynamics from a chemical engineering viewpoint. The text provides a thorough exposition of the principles of thermodynamics and details their application to chemical processes. The chapters are written in a clear, logically organized manner, and contain an abundance of realistic problems, examples, and illustrations to help students understand complex concepts. New ideas, terms, and symbols constantly challenge the readers to think and encourage them to apply this fundamental body of knowledge to the solution of practical problems.
The comprehensive nature of this book makes it a useful reference both in graduate courses and for professional practice. The sixth edition continues to be an excellent tool for teaching the subject of chemical engineering thermodynamics to undergraduate students.
“Thermodynamic Models: Fundamentals & Computational Aspects”
M. L. Michelsen, J.M. Mollerup
ISBN : 87-989961-3-4
With this book the authors provide a solid framework for developing efficient and robust algorithms for calculation of phase equilibrium of non-ideal mixtures as related to the design and operation of complex processes in the chemical and petroleum industry.
“Molecular Thermodynamics of Fluid-Phase Equilibria”
J.M. Prausnitz, R. N. Litchtenthaler, E. G. de Azevedo, Prentice Hall, 3rd Edition
The classic guide to mixtures, completely updated with new models, theories, examples, and data.
Efficient separation operations and many other chemical processes depend upon a thorough understanding of the properties of gaseous and liquid mixtures. Molecular Thermodynamics of Fluid-Phase Equilibria, Third Edition is a systematic, practical guide to interpreting, correlating, and predicting thermodynamic properties used in mixture-related phase-equilibrium calculations.
Completely updated, this edition reflects the growing maturity of techniques grounded in applied statistical thermodynamics and molecular simulation, while relying on classical thermodynamics, molecular physics, and physical chemistry wherever these fields offer superior solutions. Detailed new coverage includes:
– Techniques for improving separation processes and making them more environmentally friendly.
– Theoretical concepts enabling the description and interpretation of solution properties.
– New models, notably the lattice-fluid and statistical associated-fluid theories.
– Polymer solutions, including gas-polymer equilibria, polymer blends, membranes, and gels.
– Electrolyte solutions, including semi-empirical models for solutions containing salts or volatile electrolytes.
Coverage also includes: fundamentals of classical thermodynamics of phase equilibria; thermodynamic properties from volumetric data; intermolecular forces; fugacities in gas and liquid mixtures; solubilities of gases and solids in liquids; high-pressure phase equilibria; virial coefficients for quantum gases; and much more.
Throughout, Molecular Thermodynamics of Fluid-Phase Equilibria strikes a perfect balance between empirical techniques and theory, and is replete with useful examples and experimental data. More than ever, it is the essential resource for engineers, chemists, and other professionals working with mixtures and related processes.