Working Guide to Vapor-Liquid Phase Equilibria Calculations


Book Description

Working Guide to Vapor-Liquid Phase Equilibria Calculations offers a practical guide for calculations of vapor-phase equilibria. The book begins by introducing basic concepts such as vapor pressure, vapor pressure charts, equilibrium ratios, and flash calculations. It then presents methods for predicting the equilibrium ratios of hydrocarbon mixtures: Wilson's correlation, Standing's correlation, convergence pressure method, and Whitson and Torp correlation. The book describes techniques to determine equilibrium ratios of the plus fraction, including Campbell's method, Winn's method, and Katz's method. The remaining chapters cover the solution of phase equilibrium problems in reservoir and process engineering; developments in the field of empirical cubic equations of state (EOS) and their applications in petroleum engineering; and the splitting of the plus fraction for EOS calculations. - Includes explanations of formulas - Step by step calculations - Provides examples and solutions




Distillation


Book Description

Distillation Principles and Practice Second Edition covers all the main aspects of distillation including the thermodynamics of vapor/liquid equilibrium, the principles of distillation, the synthesis of distillation processes, the design of the equipment, and the control of process operation. Most textbooks deal in detail with the principles and laws of distilling binary mixtures. When it comes to multi-component mixtures, they refer to computer software nowadays available. One of the special features of the second edition is a clear and easy understandable presentation of the principles and laws of ternary distillation. The right understanding of ternary distillation is the link to a better understanding of multi-component distillation. Ternary distillation is the basis for a conceptual process design, for separating azeotropic mixtures by using an entrainer, and for reactive distillation, which is a rapidly developing field of distillation. Another special feature of the book is the design of distillation equipment, i.e. tray columns and packed columns. In practice, empirical know-how is preferably used in many companies, often in form of empirical equations, which are not even dimensionally correct. The objective of the proposed book is the derivation of the relevant equations for column design based on first principles. The field of column design is permanently developing with respect to the type of equipment used and the know-how of two-phase flow and interfacial mass transfer.




Thermodynamic Models


Book Description




Using Aspen Plus in Thermodynamics Instruction


Book Description

A step-by-step guide for students (and faculty) on the use of Aspen in teaching thermodynamics • Easily-accessible modern computational techniques opening up new vistas in teaching thermodynamics A range of applications of Aspen Plus in the prediction and calculation of thermodynamic properties and phase behavior using the state-of-the art methods • Encourages students to develop engineering insight by doing repetitive calculations with changes in parameters and/or models • Calculations and application examples in a step-by-step manner designed for out-of-classroom self-study • Makes it possible to easily integrate Aspen Plus into thermodynamics courses without using in-class time • Stresses the application of thermodynamics to real problems




Chemical Thermodynamics for Process Simulation


Book Description

The only textbook that applies thermodynamics to real-world process engineering problems This must-read for advanced students and professionals alike is the first book to demonstrate how chemical thermodynamics work in the real world by applying them to actual engineering examples. It also discusses the advantages and disadvantages of the particular models and procedures, and explains the most important models that are applied in process industry. All the topics are illustrated with examples that are closely related to practical process simulation problems. At the end of each chapter, additional calculation examples are given to enable readers to extend their comprehension. Chemical Thermodynamics for Process Simulation instructs on the behavior of fluids for pure fluids, describing the main types of equations of state and their abilities. It discusses the various quantities of interest in process simulation, their correlation, and prediction in detail. Chapters look at the important terms for the description of the thermodynamics of mixtures; the most important models and routes for phase equilibrium calculation; models which are applicable to a wide variety of non-electrolyte systems; membrane processes; polymer thermodynamics; enthalpy of reaction; chemical equilibria, and more. -Explains thermodynamic fundamentals used in process simulation with solved examples -Includes new chapters about modern measurement techniques, retrograde condensation, and simultaneous description of chemical equilibrium -Comprises numerous solved examples, which simplify the understanding of the often complex calculation procedures, and discusses advantages and disadvantages of models and procedures -Includes estimation methods for thermophysical properties and phase equilibria thermodynamics of alternative separation processes -Supplemented with MathCAD-sheets and DDBST programs for readers to reproduce the examples Chemical Thermodynamics for Process Simulation is an ideal resource for those working in the fields of process development, process synthesis, or process optimization, and an excellent book for students in the engineering sciences.







Phase Behavior


Book Description

Phase Behavior provides the reader with the tools needed to solve problems requiring a description of phase behavior and specific pressure/volume/temperature (PVT) properties.







Molecular Thermodynamics of Fluid-Phase Equilibria


Book Description

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.




COSMO-RS


Book Description

The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program