Models For Thermodynamic And Phase Equilibria Calculations

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Phase Diagrams and Thermodynamic Modeling of Solutions

Author : Arthur D. Pelton
Publisher : Academic Press
ISBN 13 : 0128016698
Total Pages : 401 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Phase Diagrams and Thermodynamic Modeling of Solutions by : Arthur D. Pelton

Download or read book Phase Diagrams and Thermodynamic Modeling of Solutions written by Arthur D. Pelton and published by Academic Press. This book was released on 2018-09-19 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase Diagrams and Thermodynamic Modeling of Solutions provides readers with an understanding of thermodynamics and phase equilibria that is required to make full and efficient use of these tools. The book systematically discusses phase diagrams of all types, the thermodynamics behind them, their calculations from thermodynamic databases, and the structural models of solutions used in the development of these databases. Featuring examples from a wide range of systems including metals, salts, ceramics, refractories, and concentrated aqueous solutions, Phase Diagrams and Thermodynamic Modeling of Solutions is a vital resource for researchers and developers in materials science, metallurgy, combustion and energy, corrosion engineering, environmental engineering, geology, glass technology, nuclear engineering, and other fields of inorganic chemical and materials science and engineering. Additionally, experts involved in developing thermodynamic databases will find a comprehensive reference text of current solution models. Presents a rigorous and complete development of thermodynamics for readers who already have a basic understanding of chemical thermodynamics Provides an in-depth understanding of phase equilibria Includes information that can be used as a text for graduate courses on thermodynamics and phase diagrams, or on solution modeling Covers several types of phase diagrams (paraequilibrium, solidus projections, first-melting projections, Scheil diagrams, enthalpy diagrams), and more

Models for Thermodynamic and Phase Equilibria Calculations

Author : Stanley I. Sandler
Publisher : CRC Press
ISBN 13 : 9780824791308
Total Pages : 704 pages
Book Rating : 4.7/5 (913 download)

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Book Synopsis Models for Thermodynamic and Phase Equilibria Calculations by : Stanley I. Sandler

Download or read book Models for Thermodynamic and Phase Equilibria Calculations written by Stanley I. Sandler and published by CRC Press. This book was released on 1993-10-07 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a definitive state-of-the-art review of the models used in applied thermodynamics. Dis-cusses all aspects of thermodynamic modeling relevant to the chemical industry-including activ4 coefficient models, equations of state, mixture group contribution methods, and specialized procedures for polymer and ele tr@01 e solutions.

Molecular Thermodynamics of Fluid-Phase Equilibria

Author : John M. Prausnitz
Publisher : Pearson Education
ISBN 13 : 0132440504
Total Pages : 1149 pages
Book Rating : 4.1/5 (324 download)

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Book Synopsis Molecular Thermodynamics of Fluid-Phase Equilibria by : John M. Prausnitz

Download or read book Molecular Thermodynamics of Fluid-Phase Equilibria written by John M. Prausnitz and published by Pearson Education. This book was released on 1998-10-22 with total page 1149 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Modelling Phase Equilibria

Author : Stanislaw Malanowski
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 338 pages
Book Rating : 4.:/5 (44 download)

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Book Synopsis Modelling Phase Equilibria by : Stanislaw Malanowski

Download or read book Modelling Phase Equilibria written by Stanislaw Malanowski and published by John Wiley & Sons. This book was released on 1992-05-29 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents a rigorous development of thermodynamic laws of phase equilibria beginning with fundamental principles, accompanied by a short description of the mathematics vital to a clear understanding of basic concepts as well as the practical methods used to calculate phase equilibria. Offers excellent explanations of well-established thermodynamic tools and novel, state-of-the-art techniques representing real fluid behavior. Models covered are relevant to the modeling of nonelectrolyte mixtures over wide ranges of pressure, temperature, composition and molecular diversity.

Phase Equilibrium Engineering

Author : Esteban Brignole
Publisher : Elsevier Inc. Chapters
ISBN 13 : 0128082585
Total Pages : 346 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Phase Equilibrium Engineering by : Esteban Brignole

Download or read book Phase Equilibrium Engineering written by Esteban Brignole and published by Elsevier Inc. Chapters. This book was released on 2013-04-02 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: In previous chapters, we have seen the fundamental criteria for phase equilibria and how the phenomenological phase behavior and separation technology of real mixtures are determined by their constituent molecular interactions. Our purpose in this chapter is to present the properties of fluids and the models for the prediction of thermodynamic properties and phase equilibria. These models are classified as predictive models using only pure component properties and semiempirical models based on a molecular thermodynamic approach. Finally, the chapter highlights the importance of the class of mixture and molecular interactions of its components in the selection of thermodynamic models for phase equilibrium calculations.

Process Systems Engineering for Biofuels Development

Author : Adrian Bonilla-Petriciolet
Publisher : John Wiley & Sons
ISBN 13 : 1119580277
Total Pages : 381 pages
Book Rating : 4.1/5 (195 download)

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Book Synopsis Process Systems Engineering for Biofuels Development by : Adrian Bonilla-Petriciolet

Download or read book Process Systems Engineering for Biofuels Development written by Adrian Bonilla-Petriciolet and published by John Wiley & Sons. This book was released on 2020-10-05 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive overview of current developments and applications in biofuels production Process Systems Engineering for Biofuels Development brings together the latest and most cutting-edge research on the production of biofuels. As the first book specifically devoted to process systems engineering for the production of biofuels, Process Systems Engineering for Biofuels Development covers theoretical, computational and experimental issues in biofuels process engineering. Written for researchers and postgraduate students working on biomass conversion and sustainable process design, as well as industrial practitioners and engineers involved in process design, modeling and optimization, this book is an indispensable guide to the newest developments in areas including: Enzyme-catalyzed biodiesel production Process analysis of biodiesel production (including kinetic modeling, simulation and optimization) The use of ultrasonification in biodiesel production Thermochemical processes for biomass transformation to biofuels Production of alternative biofuels In addition to the comprehensive overview of the subject of biofuels found in the Introduction of the book, the authors of various chapters have provided extensive discussions of the production and separation of biofuels via novel applications and techniques.

Thermodynamic Models for Industrial Applications

Author : Georgios M. Kontogeorgis
Publisher : John Wiley & Sons
ISBN 13 : 9780470747544
Total Pages : 710 pages
Book Rating : 4.7/5 (475 download)

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Book Synopsis Thermodynamic Models for Industrial Applications by : Georgios M. Kontogeorgis

Download or read book Thermodynamic Models for Industrial Applications written by Georgios M. Kontogeorgis and published by John Wiley & Sons. This book was released on 2009-12-01 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Thermodynamics of Fluid-phase Equilibria

Author : J. M. Prausnitz
Publisher : Prentice Hall
ISBN 13 :
Total Pages : 556 pages
Book Rating : 4.:/5 (37 download)

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Book Synopsis Molecular Thermodynamics of Fluid-phase Equilibria by : J. M. Prausnitz

Download or read book Molecular Thermodynamics of Fluid-phase Equilibria written by J. M. Prausnitz and published by Prentice Hall. This book was released on 1969 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: 97774-4 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 ofFluid-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 oth

Phase Equilibria, Phase Diagrams and Phase Transformations

Author : Mats Hillert
Publisher : Cambridge University Press
ISBN 13 : 1139465864
Total Pages : 525 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Phase Equilibria, Phase Diagrams and Phase Transformations by : Mats Hillert

Download or read book Phase Equilibria, Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 2007-11-22 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Phase Equilibria, Phase Diagrams and Phase Transformations

Author : Mats Hillert
Publisher : Cambridge University Press
ISBN 13 : 9780521562706
Total Pages : 554 pages
Book Rating : 4.5/5 (627 download)

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Book Synopsis Phase Equilibria, Phase Diagrams and Phase Transformations by : Mats Hillert

Download or read book Phase Equilibria, Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 1998-03-12 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook deals with the theoretical basis of chemical equilibria and chemical changes and emphasizes the properties of phase diagrams. The author treats the field from a modern perspective. He takes into account the dramatic changes in the methods of applying thermodynamics caused by the development both of computer operated programs for sophisticated equilibrium calculations and of extensive databases containing thermodynamic parameter values for individual phases from which all thermodynamic properties may be calculated. This new situation has inspired a new approach to the teaching of basic thermodynamics. Illustrative examples of thermodynamic modeling are also given, and the book contains many exercises and worked solutions. This modern text will be of value to undergraduate and graduate students in materials science and chemistry.

CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide

Author : N. Saunders
Publisher : Elsevier
ISBN 13 : 0080528430
Total Pages : 497 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide by : N. Saunders

Download or read book CALPHAD (Calculation of Phase Diagrams): A Comprehensive Guide written by N. Saunders and published by Elsevier. This book was released on 1998-06-09 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials. Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.

Chemical Thermodynamics for Process Simulation

Author : Jürgen Gmehling
Publisher : John Wiley & Sons
ISBN 13 : 3527809457
Total Pages : 448 pages
Book Rating : 4.5/5 (278 download)

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Book Synopsis Chemical Thermodynamics for Process Simulation by : Jürgen Gmehling

Download or read book Chemical Thermodynamics for Process Simulation written by Jürgen Gmehling and published by John Wiley & Sons. This book was released on 2019-03-15 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Thermodynamic Models for Chemical Engineering

Author : Jean-Noel Jaubert
Publisher : Elsevier
ISBN 13 : 0081022808
Total Pages : 200 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Thermodynamic Models for Chemical Engineering by : Jean-Noel Jaubert

Download or read book Thermodynamic Models for Chemical Engineering written by Jean-Noel Jaubert and published by Elsevier. This book was released on 2021-07-14 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamic Models for Chemical Engineering gives an overview of the main thermodynamic models used by engineers and in engineering researcher processes. These fall into two main families, equations of state and activity coefficient models. The book presents the state-of-the-art of purely predictive models. Presents a comprehensive overview of the main thermodynamic models Explains their theoretical base Gives detailed methods to estimate model parameters

High-Pressure Fluid Phase Equilibria

Author : Ulrich K Deiters
Publisher : Elsevier
ISBN 13 : 044313281X
Total Pages : 476 pages
Book Rating : 4.4/5 (431 download)

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Book Synopsis High-Pressure Fluid Phase Equilibria by : Ulrich K Deiters

Download or read book High-Pressure Fluid Phase Equilibria written by Ulrich K Deiters and published by Elsevier. This book was released on 2023-12-01 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 seminars New 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

Gibbs Energy and Helmholtz Energy

Author : Emmerich Wilhelm
Publisher : Royal Society of Chemistry
ISBN 13 : 1839164107
Total Pages : 505 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Gibbs Energy and Helmholtz Energy by : Emmerich Wilhelm

Download or read book Gibbs Energy and Helmholtz Energy written by Emmerich Wilhelm and published by Royal Society of Chemistry. This book was released on 2021-09-08 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains the latest information on all aspects of the most important chemical thermodynamic properties of Gibbs energy and Helmholtz energy, as related to fluids. Both the Gibbs energy and Helmholtz energy are very important in the fields of thermodynamics and material properties as many other properties are obtained from the temperature or pressure dependence. Bringing all the information into one authoritative survey, the book is written by acknowledged world experts in their respective fields. Each of the chapters will cover theory, experimental methods and techniques and results for all types of liquids and vapours. This book is the fourth in the series of Thermodynamic Properties related to liquids, solutions and vapours, edited by Emmerich Wilhelm and Trevor Letcher. The previous books were: Heat Capacities (2010), Volume Properties (2015), and Enthalpy (2017). This book fills the gap in fundamental thermodynamic properties and is the last in the series.

Computational Thermodynamics of Materials

Author : Zi-Kui Liu
Publisher : Cambridge University Press
ISBN 13 : 0521198968
Total Pages : 261 pages
Book Rating : 4.5/5 (211 download)

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Book Synopsis Computational Thermodynamics of Materials by : Zi-Kui Liu

Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.

The Thermodynamics of Phase and Reaction Equilibria

Author : Ismail Tosun
Publisher : Newnes
ISBN 13 : 0444594973
Total Pages : 736 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis The Thermodynamics of Phase and Reaction Equilibria by : Ismail Tosun

Download or read book The Thermodynamics of Phase and Reaction Equilibria written by Ismail Tosun and published by Newnes. This book was released on 2012-10-17 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides you with a sound foundation for understanding abstract concepts (eg physical properties such as fugacity, etc or chemical processes, ie distillation, etc) of phase and reaction equilibria and shows you how to apply these concepts to solve practical problems using numerous and clear examples.