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.

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 . . .

This book offers a didactic and a self-contained treatment of the physics of liquid and flowing matter with a statistical mechanics approach. Experimental and theoretical methods that were developed to study fluids are now frequently applied to a number of more complex systems generically referred to as soft matter. As for simple liquids, also for complex fluids it is important to understand how their macroscopic behavior is determined by the interactions between the component units. Moreover, in recent years new and relevant insights have emerged from the study of anomalous phases and metastable states of matter. In addition to the traditional topics concerning fluids in normal conditions, the authors of this book discuss recent developments in the field of disordered systems in condensed and soft matter. In particular they emphasize computer simulation techniques that are used in the study of soft matter and the theories and study of slow glassy dynamics. For these reasons the book includes a specific chapter about metastability, supercooled liquids and glass transition. The book is written for graduate students and active researchers in the field.

Plasma methods that effectively combine ultraviolet radiation, active chemicals, and high electric fields offer an alternative to conventional water treatment methods. However, knowledge of the electric breakdown of liquids has not kept pace with this increasing interest, mostly due to the complexity of phenomena related to the plasma breakdown process. Plasma Discharge in Liquid: Water Treatment and Applications provides engineers and scientists with a fundamental understanding of the physical and chemical phenomena associated with plasma discharges in liquids, particularly in water. It also examines state-of-the-art plasma-assisted water treatment technologies. The Physics & Applications of Underwater Plasma Discharges The first part of the book describes the physical mechanism of pulsed electric breakdown in water and other liquids. It looks at how plasma is generated in liquids and discusses the electronic and bubble mechanism theories for how the electric discharge in liquid is initiated. The second part of the book focuses on various water treatment applications, including: Decontamination of volatile organic compounds and remediation of contaminated water Microorganism sterilization and other biological applications Cooling water treatment Drawing extensively on recent research, this one-stop reference combines the physics and applications of electric breakdown in liquids in a single volume. It offers a valuable resource for scientists, engineers, and students interested in the topic of plasmas in liquids.

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.

Exploring important theories for understanding freezing and the liquid-glass transition, this book is useful for graduate students and researchers in soft-condensed matter physics, chemical physics and materials science. It details recent ideas and key developments, providing an up-to-date view of current understanding. The standard tools of statistical physics for the dense liquid state are covered. The freezing transition is described from the classical density functional approach. Classical nucleation theory as well as applications of density functional methods for nucleation of crystals from the melt are discussed, and compared to results from computer simulation of simple systems. Discussions of supercooled liquids form a major part of the book. Theories of slow dynamics and the dynamical heterogeneities of the glassy state are presented, as well as nonequilibrium dynamics and thermodynamic phase transitions at deep supercooling. Mathematical treatments are given in full detail so readers can learn the basic techniques.

Understanding the Properties of Matter: 2nd Edition takes a unique phenomenological approach to the presentation of matter, materials, and solid-state physics. After an overview of basic ideas and a reminder of the importance of measurement, the author considers in turn gases, solids, liquids, and phase changes. For each topic, the focus is on "what happens." After a preliminary examination of data on the properties of matter, the author raises, then addresses a series of questions concerning the data. It is only in answering these questions that he adopts the theoretical approach to the properties of matter. This approach can reawaken in readers the fascination for the subject that inspired some of the greatest physicists of our age. Examples and extensive exercises reinforce the concepts. A supporting Web site furnishes for free download a plethora of additional materials, including: " Supplementary chapters on the band theory of solids and the magnetic properties of solids " Copies of all the data talbes used in the book, in PDF and spreadsheet formats " Enlarged copies of all figures " A simple molecular dynamics simulation " Animations uillustrating important featrues of key equations " Answers to the end-of-chapter exercises Understanding the Properties of Matter is an entertaining and innovative text accessible at the undergraduate level.