Perturbation theory forms an important basis for predicting the thermodynamic characteristics of real fluids and solids. This book provides a comprehensive review of current perturbation theories-as well as integral equation theories and density functional theories-for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the book avoids complex theoretical derivations as much as possible. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.

This book has been prepared under the auspices of Commission I.2 on Thermodynamics of the International Union of Pure and Applied Chemistry (IUPAC). The authors of the 18 chapters are all recognized experts in the field. The book gives an up-to-date presentation of equations of state for fluids and fluid mixtures. All principal approaches for developing equations of state are covered. The theoretical basis and practical use of each type of equation is discussed and the strength and weaknesses of each is addressed. Topics addressed include the virial equation of state, cubic equations and generalized van der Waals equations, perturbation theory, integral equations, corresponding stated and mixing rules. Special attention is also devoted to associating fluids, polydisperse fluids, polymer systems, self-assembled systems, ionic fluids and fluids near critical points.

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

Phase Equilibria in Chemical Engineering is devoted to the thermodynamic basis and practical aspects of the calculation of equilibrium conditions of multiple phases that are pertinent to chemical engineering processes. Efforts have been made throughout the book to provide guidance to adequate theory and practice. The book begins with a long chapter on equations of state, since it is intimately bound up with the development of thermodynamics. Following material on basic thermodynamics and nonidealities in terms of fugacities and activities, individual chapters are devoted to equilibria primarily between pairs of phases. A few topics that do not fit into these categories and for which the state of the art is not yet developed quantitatively have been relegated to a separate chapter. The chapter on chemical equilibria is pertinent since many processes involve simultaneous chemical and phase equilibria. Also included are chapters on the evaluation of enthalpy and entropy changes of nonideal substances and mixtures, and on experimental methods. This book is intended as a reference and self-study as well as a textbook either for full courses in phase equilibria or as a supplement to related courses in the chemical engineering curriculum. Practicing engineers concerned with separation technology and process design also may find the book useful.

This text explores the connections between different thermodynamic subjects related to fluid systems. Emphasis is placed on the clarification of concepts by returning to the conceptual foundation of thermodynamics and special effort is directed to the use of a simple nomenclature and algebra. The book presents the structural elements of classical thermodynamics of fluid systems, covers the treatment of mixtures, and shows via examples and references both the usefulness and the limitations of classical thermodynamics for the treatment of practical problems related to fluid systems. It also includes diverse selected topics of interest to researchers and advanced students and four practical appendices, including an introduction to material balances and step-by-step procedures for using the Virial EOS and the PRSV EOS for fugacities and the ASOG-KT group method for activity coefficients. The Olivera-Fuentes table of PRSV parameters for more than 800 chemical compounds and the Gmehling-Tochigi tables of ASOG interaction parameters for 43 groups are included.

An Introduction to the Statistical Theory of Classical Simple Dense Fluids covers certain aspects of the study of dense fluids, based on the analysis of the correlation effects between representative small groupings of molecules. The book starts by discussing empirical considerations including the physical characteristics of fluids; measured molecular spatial distribution; scattering by a continuous medium; the radial distribution function; the mean potential; and the molecular motion in liquids. The text describes the application of the theories to the description of dense fluids (i.e. interparticle force, classical particle trajectories, and the Liouville Theorem) and the deduction of expressions for the fluid thermodynamic functions. The theory of equilibrium short-range order by using the concept of closure approximation or total correlation; some numerical consequences of the equilibrium theory; and irreversibility are also looked into. The book further tackles the kinetic derivation of the Maxwell-Boltzmann (MB) equation; the statistical derivation of the MB equation; the movement to equilibrium; gas in a steady state; and viscosity and thermal conductivity. The text also discusses non-equilibrium liquids. Physicists, chemists, and engineers will find the book invaluable.

A monograph examining recent progress in the field of inhomogeneous fluids, focusing on the theoretical - as well as experimental - techniques used. It presents the comprehensive theory of first-order phase transitions, including melting, and contains numerous figures, tables and display equations.;The contributors treat such subjects as: exact sum rules for inhomogenous fluids, explaining density functional and integral equation methods; exact solutions for two-dimensional homogeneous and inhomogeneous plasmas; current advances in the theory of interfacial electrochemistry; wetting experiments and the theory of wetting; freezing, with an emphasis on quantum systems and homogeneous nucleation in liquid-vapour and solid-liquid transitions; self-organizing liquids as well as kinetic phenomena in inhomogeneous fluids, using a modified Enskog theory.;Featuring over 1000 bibliographic citations, this volume is aimed at physical, surface, colloid and surfactant chemists; also physicists, electrochemists and graduate-level students in these disciplines.

The Classical Theory of Integral Equations is a thorough, concise, and rigorous treatment of the essential aspects of the theory of integral equations. The book provides the background and insight necessary to facilitate a complete understanding of the fundamental results in the field. With a firm foundation for the theory in their grasp, students will be well prepared and motivated for further study. Included in the presentation are: A section entitled Tools of the Trade at the beginning of each chapter, providing necessary background information for comprehension of the results presented in that chapter; Thorough discussions of the analytical methods used to solve many types of integral equations; An introduction to the numerical methods that are commonly used to produce approximate solutions to integral equations; Over 80 illustrative examples that are explained in meticulous detail; Nearly 300 exercises specifically constructed to enhance the understanding of both routine and challenging concepts; Guides to Computation to assist the student with particularly complicated algorithmic procedures. This unique textbook offers a comprehensive and balanced treatment of material needed for a general understanding of the theory of integral equations by using only the mathematical background that a typical undergraduate senior should have. The self-contained book will serve as a valuable resource for advanced undergraduate and beginning graduate-level students as well as for independent study. Scientists and engineers who are working in the field will also find this text to be user friendly and informative.