Molecular Theory Of Water And Aqueous Solutions Understanding Water

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 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.

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.

This book starts out by presenting the evidence for the importance of hydrophilic interactions in biochemical processes and then goes on to describe the applications of the hydrophilic interactions in these processes, specifically protein folding, protein association, self assembly and molecular recognition. In this volume it is shown that the new paradigm, based on the hydrophilic effect, brings us as close as one can hope to the solutions of the protein folding problem, as well as the problem of self assembly and molecular recognition. In addition, the new paradigm also provides an explanation of the high solubility of globular proteins. The change in the paradigm is shown symbolically in the cover design of this book. This book is also available as a set with Molecular Theory of Water and Aqueous Solutions Part 1: Understanding Water.

The central theme, which threads through the entire book, concerns computational modeling methods for water. Modeling results for pure liquid water, water near ions, water at interfaces, water in biological microsystems, and water under other types of perturbations such as laser fields are described. Connections are made throughout the book with statistical mechanical theoretical methods on the one hand and with experimental data on the other. The book is expected to be useful not only for theorists and computer analysts interested in the physical, chemical, biological and geophysical aspects of water, but also for experimentalists in these fields. Contents:IntroductionMolecular Dynamics MethodsStatistical AveragesExperimental Description of WaterTheoretical Description of WaterBulk Water ComputationsResults for Aqueous SolutionsComputation for Water at InterfacesInterfacial Water in Chemistry and BiologyWater in Nonequilibrium StatesMassively Parallel ProcessingThe Far Past and the Near Future Readership: Chemists, biologists, physicists, computer scientists and geophysicists. keywords:Water Structure;Water Properties;Water Models;Aqueous Solutions;Interfacial Water;Field-Perturbed Water;Hydrogen Bonds;Hydration;Molecular Dynamics;Computer Simulations