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Vapor-Liquid Equilibria Using UNIFAC: A Group-Contribution Method focuses on the UNIFAC group-contribution method used in predicting quantitative information on the phase equilibria during separation by estimating activity coefficients. Drawing on tested vapor-liquid equilibrium data on which UNIFAC is based, it demonstrates through examples how the method may be used in practical engineering design calculations. Divided into nine chapters, this volume begins with a discussion of vapor and liquid phase nonidealities and how they are calculated in terms of fugacity and activity coefficients, respectively. It then introduces the reader to the UNIFAC method and how it works, the procedure used in establishing the parameters needed for the model, prediction of binary and multicomponent vapor-liquid equilibria for a large number of systems, the potential of UNIFAC for predicting liquid-liquid equilibria, and how UNIFAC can be used to solve practical distillation design problems. This book will benefit process design engineers who want to reliably predict phase equilibria for designing distillation columns and other separation processes.
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.
Compiling, comparing, and analyzing research from a wide range of abstracts, journal articles, and Web sites, this reference examines the properties, function, and behavior of binary, ternary, and multicomponent mixtures in the presence and absence of solutes. The author uniformly presents extensive data on the properties of solvent mixtures and describes their structures and interactions. He details the impact of preferential solvation on the environment, action, and components of chemical systems. The book highlights experimental approaches to determine when, and to what extent, preferential solvation has taken place and models for organic, ionic, macromolecular, and biochemical solutes.
Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.
Gas hydrates, or clathrate hydrates, are crystalline solids resembling ice, in which small (guest) molecules, typically gases, are trapped inside cavities formed by hydrogen-bonded water (host) molecules. They form and remain stable under low temperatures – often well below ambient conditions – and high pressures ranging from a few bar to hundreds of bar, depending on the guest molecule. Their presence is ubiquitous on Earth, in deep-marine sediments and in permafrost regions, as well as in outer space, on planets or comets. In addition to water, they can be synthesized with organic species as host molecules, resulting in milder stability conditions: these are referred to as semi-clathrate hydrates. Clathrate and semi-clathrate hydrates are being considered for applications as diverse as gas storage and separation, cold storage and transport and water treatment. This book is the first of two edited volumes, with chapters on the experimental and modeling tools used for characterizing and predicting the unique molecular, thermodynamic and kinetic properties of gas hydrates (Volume 1) and on gas hydrates in their natural environment and for potential industrial applications (Volume 2).
The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams. - introduces phase diagram classes, how to recognize them and identify their characteristic features - presents rational nomenclature of binary fluid phase diagrams - includes problems and solutions for self-testing, exercises or seminars