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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.
This book gives a comprehensive and up-to-date treatment of the theory of "simple" liquids. The new second edition has been rearranged and considerably expanded to give a balanced account both of basic theory and of the advances of the past decade. It presents the main ideas of modern liquid state theory in a way that is both pedagogical and self-contained. The book should be accessible to graduate students and research workers, both experimentalists and theorists, who have a good background in elementary mechanics. - Compares theoretical deductions with experimental results - Molecular dynamics - Monte Carlo computations - Covers ionic, metallic, and molecular liquids
In a simple and accessible form, this book presents a unified approach to the physics of the liquid state, both in and out of equilibrium. It discerns, behind the seemingly anarchistic proliferation of phenomena observable in the liquid state, the sequence of causes and effects and, where appropriate, the underlying rules that preside over the general principles. The book begins by introducing the fundamental concepts of statistical mechanics, such as classical and quantum mechanics, probability theory, and the kinetic theory of gases, before moving on to discuss theoretical methods in order to contextualise the study of liquids. The last final section is devoted to ordering in complex fluids. It includes detailed technical notes and explicit calculations, and will appeal to graduate students in physics and chemistry. It will also be of interest the reader interested in statistical mechanics and their application to the physics of dense matter. This book will certainly become an indispensable reference for students and researchers who wish to become familiar with a multifaceted process looking towards new horizons.
The aim of this book is the pedagogical exploration of the basic principles of quantum-statistical thermodynamics as applied to various states of matter – ranging from rare gases to astrophysical matter with high-energy density. The reader will learn in this work that thermodynamics and quantum statistics are still the concepts on which even the most advanced research is operating - despite of a flood of modern concepts, classical entities like temperature, pressure, energy and entropy are shown to remain fundamental. The physics of gases, plasmas and high-energy density matter is still a growing field and even though solids and liquids dominate our daily life, more than 99 percent of the visible Universe is in the state of gases and plasmas and the overwhelming part of matter exists at extreme conditions connected with very large energy densities, such as in the interior of stars. This text, combining material from lectures and advanced seminars given by the authors over many decades, is a must-have introduction and reference for both newcomers and seasoned researchers alike.
This short primer offers non-specialist readers a concise, yet comprehensive introduction to the field of classical fluids – providing both fundamental information and a number of selected topics to bridge the gap between the basics and ongoing research. In particular, hard-sphere systems represent a favorite playground in statistical mechanics, both in and out of equilibrium, as they represent the simplest models of many-body systems of interacting particles, and at higher temperature and densities they have proven to be very useful as reference systems for real fluids. Moreover, their usefulness in the realm of soft condensed matter has become increasingly recognized – for instance, the effective interaction among (sterically stabilized) colloidal particles can be tuned to almost perfectly match the hard-sphere model. These lecture notes present a brief, self-contained overview of equilibrium statistical mechanics of classical fluids, with special applications to both the structural and thermodynamic properties of systems made of particles interacting via the hard-sphere potential or closely related model potentials. In particular it addresses the exact statistical-mechanical properties of one-dimensional systems, the issue of thermodynamic (in)consistency among different routes in the context of several approximate theories, and the construction of analytical or semi-analytical approximations for the structural properties. Written pedagogically at the graduate level, with many figures, tables, photographs, and guided end-of-chapter exercises, this introductory text benefits students and newcomers to the field alike.
This book, Perturbation Theories for the Thermodynamic Properties of Fluids and Solids, 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 text avoids complex theoretical derivations as much as possible. It begins with discussions of the nature of intermolecular forces and simple potential models. The book also presents a summary of statistical mechanics concepts and formulae. In addition, it reviews simulation techniques, providing background for the performance analyses of theories executed throughout the text using simulation data. Chapters describe integral equation theories, theoretical approaches for hard-sphere fluid or solid systems, and perturbation theories for simple fluids and solids for monocomponent and multicomponent systems. They also cover density functional theories for inhomogeneous systems and perturbative and nonperturbative approaches to describe the structure and thermodynamics of hard-body molecular fluids. The final chapter examines several more challenging systems, such as fluids near the critical point, liquid metals, molten salts, colloids, and aqueous protein solutions. This book offers a thorough account of the available equilibrium theories for the thermodynamic and structural properties of fluids and solids, with special focus on perturbation theories, emphasizing their applications, strengths, and weaknesses. 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 provides the reader with an introduction to the physics of complex plasmas, a discussion of the specific scientific and technical challenges they present and an overview of their potential technological applications. Complex plasmas differ from conventional high-temperature plasmas in several ways: they may contain additional species, including nano meter- to micrometer-sized particles, negative ions, molecules and radicals and they may exhibit strong correlations or quantum effects. This book introduces the classical and quantum mechanical approaches used to describe and simulate complex plasmas. It also covers some key experimental techniques used in the analysis of these plasmas, including calorimetric probe methods, IR absorption techniques and X-ray absorption spectroscopy. The final part of the book reviews the emerging applications of microcavity and microchannel plasmas, the synthesis and assembly of nanomaterials through plasma electrochemistry, the large-scale generation of ozone using microplasmas and novel applications of atmospheric-pressure non-thermal plasmas in dentistry. Going beyond the scope of traditional plasma texts, the presentation is very well suited for senior undergraduate, graduate students and postdoctoral researchers specializing in plasma physics.
Computational techniques have become an indispensable part of Molecular Biology, Biochemistry, and Molecular Design. In conjunction with refined experimental methods and powerful hardware, they enable us to analyze and visualize biomolecular structures, simulate their motions and to a variable degree understand their physicochemical properties and function. In addition, they provide essentially the only way to analyze and correlate the astronomical amounts of experimental sequence and structural data accumulating in international databases. We have good reasons to believe that further advances in this area will eventually enable us to predict with sufficient accuracy many structural and functional properties of fairly large biomolecules, given their sequence and specified environmental conditions. However, it is also important to realize that in achieving this goal, we encounter several serious problems of conceptual and methodological nature, the solution of which requires new approaches and algorithms. For example, we need better force fields, more efficient optimization routines, an adequate description of electrostatics and hydration, reliable methods to compute free energies, and ways to extent the length of molecular dynamics simulations by several orders of magnitude.
Since their first introduction in natural sciences through the work of Einstein on Brownian motion in 1905 and further works, in particular by Langevin, Smoluchowski and others, stochastic processes have been used in several areas of science and technology. For example, they have been applied in chemical studies, or in fluid turbulence and for combustion and reactive flows. The articles in this book provide a general and unified framework in which stochastic processes are presented as modeling tools for various issues in engineering, physics and chemistry, with particular focus on fluid mechanics and notably dispersed two-phase flows. The aim is to develop what can referred to as stochastic modeling for a whole range of applications.
This monograph presents theoretical and experimental studies of flows of elastic liquids. Falling into this category are particularly the melts and concentrated solutions of such flexible-chain polymers as polyethylene, polyisobutylene and polypropylene, all of which are widely used in polymer processing. These polydisperse polymers vary greatly, from batch to batch, in their mechanical properties and 20% variation in a property is believed to be good enough. l 7 All recent books - devoted to the rheology of polymers do not answer the question of which constitutive equations should be used for solving the fluid mechanic problems of polymer processing in the usual case of an appreciable nonlinear region of deformation where nonlinear effects of shear and extensional elasticity are very important. Viscoelastic constitut ive equations cited commonly (see, e.g. Refs 5 and 6) do not describe simultaneously even the simplest cases of deformations, viz. simple shear and uniaxial extension. Moreover, some of them are internally inconsist ent and sometimes display highly unstable behaviour in simple flows without any fundamental reasons. Even more respected molecular ap free from these defects.