Modeling Vapor-Liquid Equilibria: Cubic Equations of State and their Mixing Rules (Cambridge Series in Chemical Engineering)

Cubic equations of state are frequently used in the chemical and petroleum industries to model complex phase behavior and to design chemical processes. Recently developed mixing rules have greatly increased the accuracy and range of applicability of such equations. This book presents a state-of-the-art review of this increasingly important topic and discusses the use of cubic equations of state to model the vapor-liquid behavior of mixtures of all degrees of nonideality. A special feature of the book is that it includes a disk of computer programs for all the models discussed, along with tutorials on their use. With the programs and tutorials, readers can easily reproduce the results reported and test all the models presented with their own data to decide which will be most useful in their own work. The programs are in FORTRAN (DOS format) but can be recompiled for use without a FORTRAN compiler. This book will be an invaluable tool for chemical engineers, research chemists, and those involved in the simulation and design of chemical processes. Front Cover......Page 1 List of Symbols......Page 9 Preface......Page 12 Contents ......Page 6 1. Introduction......Page 15 2.1. Basic Thermodynamics of Phase Equilibrium......Page 19 2.2. Vapor-Liquid Phase Equilibrium......Page 20 2.3. Gamma-Phi Method for Vapor-Liquid Phase Equilibrium......Page 21 2.4. Several Activity Coefficient (Excess Free-Energy) Models......Page 25 2.5. Equation of State Models for Vapor-Liquid Phase Equilibrium Calculations......Page 31 3.1. Cubic Equations of State and Their Modifications for Phase Equilibrium Calculations of Nonideal Mixtures......Page 33 3.2. General Characteristics of Mixing and Combining Rules......Page 37 3.3. Conventional van der Waals Mixing Rules with a Single Binary Interaction Parameter (1PVDW) Model)......Page 39 3.4. Vapor-Liquid Phase Equilibrium Calculations with the 1PVDW Model......Page 41 3.5. Nonquadratic Combining Rules for the van der Waals One-Fluid Model (2PVDW Model)......Page 48 4.1. The Combination of Equation of State Models with Excess Free-Energy (EOS-Gex) Models: An Overview......Page 58 4.2. The Huron-Vidal (HVO) Model......Page 62 4.3. The Wong-Sandler (WS) Model......Page 65 4.4. Approximate Methods of Combining Free-Energy Models and Equations of State: The MHV1, MHV2, LCVM, and HVOS Models......Page 77 4.5. General Comments on the Correlative and Predictive Capabilities of Various Mixing Rules with Cubic Equations of State......Page 86 5.1. Completely Predictive EOS-Gex Models for Mixtures of Condensable Compounds......Page 89 5.2. Prediction of Infinite Dilution Activity Coefficients with the EOS-Gex Approach......Page 100 5.3. Completely Predictive EOS-Gex Models for Mixtures of Condensable Compounds with Supercritical Gases......Page 102 6. Epilogue......Page 108 6.2. Simultaneous Correlation and Prediction of VLE and Other Mixture Properties such as Enthalpy, Entropy, Heat Capacity, etc.......Page 109 6.5. Correlation of Phase Equilibrium for Mixtures that Form Microstructured Micellar Solutions......Page 112 6.6. Systematic Investigation of LLE and VLLE for Nonelectrolyte Mixtures with an EOS......Page 114 A. Bibliography of General Thermodynamics and Phase Equilibria References......Page 115 B. Summary of the Algebraic Details for the Various Mixing Rules and Computational Methods Using These Mixing Rules......Page 116 C. Derivation of Helmholtz and Gibbs Free-Energy Departure Functions from the Peng-Robinson Equation of State at Infinite Pressure......Page 126 D. Computer Programs for Binary Mixtures......Page 128 E. Computer Programs for Multicomponent Mixtures......Page 191 References......Page 213 Index......Page 219 Back Cover......Page 222 "Cubic equations of state are frequently used in the chemical and petroleum industries to model complex phase behavior and to design chemical processes. Recently developed mixing rules have greatly increased the accuracy and range of applicability of such equations."--BOOK JACKET. "This book presents a state-of-the-art review of this important topic and discusses the use of cubic equations of state to model the vapor-liquid behavior of mixtures of all degrees of nonideality."--BOOK JACKET. "This book will be an invaluable tool for chemical engineers, research chemists, and those involved in the simulation and design of chemical processes."--BOOK JACKET.