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This short monograph focuses on the theoretical backgrounds and practical implementations concerning the thermodynamic modeling of multiphase equilibria of complex reservoir fluids using cubic equations of state. It aims to address the increasing needs of multiphase equilibrium calculations that arise in the compositional modeling of multiphase flow in reservoirs and wellbores. It provides a state-of-the-art coverage on the recent improvements of cubic equations of state. Considering that stability test and flash calculation are two basic tasks involved in any multiphase equilibrium calculations, it elaborates on the rigorous mathematical frameworks dedicated to stability test and flash calculation. A special treatment is given to the new algorithms that are recently developed to perform robust and efficient three-phase equilibrium calculations. This monograph will be of value to graduate students who conduct research in the field of phase behavior, as well as software engineers who work on the development of multiphase equilibrium calculation algorithms.
This practical handbook features an overview of the importance of physical properties and thermodynamics; and the use of thermo-dynamics to predict the extent of reaction in proposed new chem-ical combinations. The use of special types of data and pre-diction methods to develop flowsheets for probing projects; and sources of critically evaluated data, dividing the published works into three categories depending on quality are given. Methods of doing one's own critical evaluation of literature, a list of known North American contract experimentalists with the types of data mea-sured by each, methods for measuring equilibrium data, and ther-modynamic concepts to carry out process opti-mization are also featured.
For more than 50 years, the Springer VDI Heat Atlas has been an indispensable working means for engineers dealing with questions of heat transfer. Featuring 50% more content, this new edition covers most fields of heat transfer in industrial and engineering applications. It presents the interrelationships between basic scientific methods, experimental techniques, model-based analysis and their transfer to technical applications.
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.
High pressures play a more and more important role in modern technology. Examples are the supercritical fluid extraction of medical drugs and dyes from biological material, the handling of compressed or liquefied gases (including natural gas or hydrogen), the operation of modern thermal power plants, or various technical processes for controlled particle formation. High-Pressure Fluid Phase Equilibria, Second Edition enables understanding of the complicated phase behaviour that fluid or fluid mixtures (liquids, gases, or supercritical phases) can exhibit at elevated pressures. The underlying thermodynamic equations are explained, and robust algorithms for the computation of such equilibria (including solid–fluid equilibria) are proposed. Since the publication of the first edition of this book there have been many new developments, for instance differential equation methods for the computation of phase equilibria, accurate numerical differentiation, high-precision equations of state (e.g., the GERG model). Moreover, more detail and explanation has been added on important topics that were only briefly examined in the original book to better assist the reader, such as expansion processes and chemical reactions). The book remains invaluable as a single resource for grasping the intricacies of fluid phase behaviour. It enables readers to write or improve their own computer programs for the calculation of phase equilibria. It will appeal to graduate students of chemical engineering and university research staff involved in chemical engineering of supercritical fluids or the physical chemistry of fluids; the book can also serve as the basis of lectures or advanced students' seminars. - Comprehensively presents the complex world of phase equilibria (binary and ternary) and the various methods for computing phase equilibria, whilst carefully considering the relevant pressure and temperature ranges - Introduces phase diagram classes, how to recognize them, and how to identify their characteristic features - Presents rational nomenclature of binary fluid phase diagrams - Includes problems and solutions for self-testing, exercises, or seminarsNew to this Edition: - Presentation of the phase equilibria models is extended and expanded - There are now more descriptions on more equations of state, especially the PCSAFT EoS - Features new chapter on nonisothermal applications and chemically reactive systems and extensive updates and additions to all existing chapters
Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.