Molecular Theory Of Solutions

This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.

The aim of this book is to explain the unusual properties of both pure liquid water and simple aqueous solutions, in terms of the properties of single molecules and interactions among small numbers of water molecules. It is mostly the result of the author's own research spanning over 40 years in the field of aqueous solutions. An understanding of the properties of liquid water is a prelude to the understanding of the role of water in biological systems and for the evolvement of life.The book is targeted at anyone who is interested in the outstanding properties of water and its role in biological systems. It is addressed to both students and researchers in chemistry, physics and biology.

The molecular theory of water and aqueous solutions has only recently emerged as a new entity of research, although its roots may be found in age-old works. The purpose of this book is to present the molecular theory of aqueous fluids based on the framework of the general theory of liquids. The style of the book is introductory in character, but the reader is presumed to be familiar with the basic properties of water [for instance, the topics reviewed by Eisenberg and Kauzmann (1969)] and the elements of classical thermodynamics and statistical mechanics [e.g., Denbigh (1966), Hill (1960)] and to have some elementary knowledge of probability [e.g., Feller (1960), Papoulis (1965)]. No other familiarity with the molecular theory of liquids is presumed. For the convenience of the reader, we present in Chapter 1 the rudi ments of statistical mechanics that are required as prerequisites to an under standing of subsequent chapters. This chapter contains a brief and concise survey of topics which may be adopted by the reader as the fundamental "rules of the game," and from here on, the development is very slow and detailed.

An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.

"The aim of this book is to explain the unusual properties of both pure liquid water and simple aqueous solutions, in terms of the properties of single molecules and interactions among small numbers of water molecules. It is mostly the result of the author's own research spanning over 40 years in the field of aqueous solutions."--Jacket.