The Physics and Physical Chemistry of Water


Book Description

to arrive at some temporary consensus model or models; and to present reliable physical data pertaining to water under a range of conditions, i.e., "Dorsey revisited," albeit on a less ambitious scale. I should like to acknowledge a debt of gratitude to several of my col leagues, to Prof. D. J. G. Ives and Prof. Robert L. Kay for valuable guidance and active encouragement, to the contributors to this volume for their willing cooperation, and to my wife and daughters for the understanding shown to a husband and father who hid in his study for many an evening. My very special thanks go to Mrs. Joyce Johnson, who did all the cor respondence and much of the arduous editorial work with her usual cheerful efficiency. F. FRANKS Biophysics Division Unilever Research Laboratory ColworthjWelwyn Colworth House, Sharnbrook, Bedford March 1972 Contents Chapter 1 Introduction-Water, the Unique Chemical F. Franks I. lntroduction ........................................ . 2. The Occurrence and Distribution of Water on the Earth 2 3. Water and Life ...................................... 4 4. The Scientific Study of Water-A Short History ........ 8 5. The Place of Water among Liquids . . . . . . . . . . . . . . . 13 . . . . . Chapter 2 The Water Moleeule C. W. Kern and M. Karplus 1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 . . . . . . . . . . 2. Principles of Structure and Spectra: The Born-Oppenheimer Separation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 . . . . . . . . . . . . 3. The Electronic Motion ............................... 26 3.1. The Ground Electronic State of Water ............ 31 3.2. The Excited Electronic States of Water ........... 50 4. The Nuclear Motion ................................. 52 5. External-Field Effects ................................. 70 5.1. Perturbed Hartree-Fock Method . . . . . . . . . . . . . . . 74 . . .




Water in Biology, Chemistry, and Physics


Book Description

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.




The Structure and Properties of Water


Book Description

The authors have correlated many experimental observations and theoretical discussions from the scientific literature on water. Topics covered include the water molecule and forces between water molecules; the thermodynamic properties of steam; the structures of the ices; the thermodynamic, electrical, spectroscopic, and transport properties of the ices and of liquid water; hydrogen bonding in ice and water; and models for liquid water. The main emphasis of the book is on relatingthe properties of ice and water to their structures. Some background material in physical chemistry has been included in order to ensure that the material is accessible to readers in fields such as biology, biochemistry, and geology, as well as to chemists and physicists.




The Physics of Liquid Water


Book Description

Unraveling the mystery of the negative thermal expansion of liquid water has been a challenge for scientists for centuries. Various theories have been proposed so far, but none has been able to solve this mystery. Since the thermodynamic properties of matter are determined by the interaction between particles, the mystery can be solved fundamentally if the thermodynamic physical quantities using the laws of thermodynamics and statistical mechanics are determined, the experimental results are reproduced, and the phenomena in relation to the shape of the interaction between particles are elucidated. In this sense, this book has fundamentally unraveled this mystery. In addition, it discusses the mysteries of isothermal compressibility, structural diversity, as well as liquefaction and boiling points of water in relation to the shape of the interaction between particles. It carefully explains the analysis and calculation methods so that they can be easily understood by the readers.




Aqueous Systems at Elevated Temperatures and Pressures


Book Description

The International Association for the Properties of Water and Steam (IAPWS) has produced this book in order to provide an accessible, up-to-date overview of important aspects of the physical chemistry of aqueous systems at high temperatures and pressures. These systems are central to many areas of scientific study and industrial application, including electric power generation, industrial steam systems, hydrothermal processing of materials, geochemistry, and environmental applications. The authors' goal is to present the material at a level that serves both the graduate student seeking to learn the state of the art, and also the industrial engineer or chemist seeking to develop additional expertise or to find the data needed to solve a specific problem. The wide range of people for whom this topic is important provides a challenge. Advanced work in this area is distributed among physical chemists, chemical engineers, geochemists, and other specialists, who may not be aware of parallel work by those outside their own specialty. The particular aspects of high-temperature aqueous physical chemistry of interest to one industry may be irrelevant to another; yet another industry might need the same basic information but in a very different form. To serve all these constituencies, the book includes several chapters that cover the foundational thermophysical properties (such as gas solubility, phase behavior, thermodynamic properties of solutes, and transport properties) that are of interest across numerous applications. The presentation of these topics is intended to be accessible to readers from a variety of backgrounds. Other chapters address fundamental areas of more specialized interest, such as critical phenomena and molecular-level solution structure. Several chapters are more application-oriented, addressing areas such as power-cycle chemistry and hydrothermal synthesis. As befits the variety of interests addressed, some chapters provide more theoretical guidance while others, such as those on acid/base equilibria and the solubilities of metal oxides and hydroxides, emphasize experimental techniques and data analysis.- Covers both the theory and applications of all Hydrothermal solutions - Provides an accessible, up-to-date overview of important aspects of the physical chemistry of aqueous systems at high temperatures and pressures- The presentation of the book is understandable to readers from a variety of backgrounds




Water in Biological and Chemical Processes


Book Description

A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.




The Water Book


Book Description

"Water is the most every day of substances. It pours from our taps and falls from the sky. We drink it, wash with it, and couldn't live without it. Yet, on closer examination it is also a very strange substance (it is one of only a very small number of molecules which expand when cooled). Look closer again and water reveals itself as a key to a scientific story on the biggest of canvases. Water is crucial to our survival - life depends on it - but it was also fundamental in the origins of life on Earth. The millions of gallons of water which make up our rivers, lakes and oceans, originated in outer space. How it arrived here and how those molecules of water were formed, is a story which takes us back to the beginning of the universe. Indeed, we know more about the depths of space than we do about the furthest reaches of the oceans. Water has also shaped the world we live in. Whether it is by gently carving the Grand Canyon over millennia, or in shaping how civilisations were built; we have settled our cities along rivers and coasts. Scientific studies show how we feel calmer and more relaxed when next to water. We holiday by the seas and lakes. Yet one day soon wars may be fought over access to water. The Water Book will change the way you look at water. After reading it you will be able to hold a glass of water up to the light and see within it a strange molecule that connects you to the origins of life, the birth (and death) of the universe, and to everyone who ever lived."--From publisher.




Water and Biomolecules


Book Description

Life is produced by the interplay of water and biomolecules. This book deals with the physicochemical aspects of such life phenomena produced by water and biomolecules, and addresses topics including "Protein Dynamics and Functions", "Protein and DNA Folding", and "Protein Amyloidosis". All sections have been written by internationally recognized front-line researchers. The idea for this book was born at the 5th International Symposium "Water and Biomolecules", held in Nara city, Japan, in 2008.




Physics and Chemistry of Lakes


Book Description

A lake, as a body of water, is in continuous interaction with the rocks and soils in its drainage basin, the atmosphere, and surface and groundwaters. Human industrial and agricultural activities introduce new inputs and processes into lake systems. This volume is a selection of ten contributions dealing with diverse aspects of lake systems, including such subjects as the geological controls of lake basins and their histories, mixing and circulation patterns in lakes, gaseous exchange between the water and atmosphere, and human input to lakes through atmospheric precipitation and surficial runoff. This work was written with a dual goal in mind: to serve as a textbook and to provide professionals with in-depth expositions and discussions of the more important aspects of lake systems.




Water in Confining Geometries


Book Description

Written by leading experts in the field, this book gives a wide-ranging and coherent treatment of water in confining geometries. It compiles and relates interdisciplinary work on this hot topic of research important in many areas of science and technology.