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| Author | : Billy D. Todd |
| Publisher | : Cambridge University Press |
| Total Pages | : 371 |
| Release | : 2017-03-10 |
| Genre | : Science |
| ISBN | : 0521190096 |
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
| Author | : Iain D. Boyd |
| Publisher | : Cambridge University Press |
| Total Pages | : 383 |
| Release | : 2017-03-23 |
| Genre | : Science |
| ISBN | : 1107073448 |
7.1 Introduction -- 7.2 Rotational Energy Exchange Models -- 7.2.1 Constant Collision Number -- 7.2.2 The Parker Model -- 7.2.3 Variable Probability Exchange Model of Boyd -- 7.2.4 Nonequilibrium Direction Dependent Model -- 7.2.5 Model Results -- 7.3 Vibrational Energy Exchange Models -- 7.3.1 Constant Collision Number -- 7.3.2 The Millikan-White Model -- 7.3.3 Quantized Treatment for Vibration -- 7.3.4 Model Results -- 7.4 Dissociation Chemical Reactions -- 7.4.1 Total Collision Energy Model -- 7.4.2 Redistribution of Energy Following a Dissociation Reaction -- 7.4.3 Vibrationally Favored Dissociation Model -- 7.5 General Chemical Reactions -- 7.5.1 Reaction Rates and Equilibrium Constant -- 7.5.2 Backward Reaction Rates in DSMC -- 7.5.3 Three-Body Recombination Reactions -- 7.5.4 Post-Reaction Energy Redistribution and General Implementation -- 7.5.5 DSMC Solutions for Reacting Flows -- 7.6 Summary -- Appendix A: Generating Particle Properties -- Appendix B: Collisional Quantities -- Appendix C: Determining Post-Collision Velocities -- Appendix D: Macroscopic Properties -- Appendix E: Common Integrals -- References -- Index
| Author | : Denis J. Evans |
| Publisher | : ANU E Press |
| Total Pages | : 318 |
| Release | : 2007-08-01 |
| Genre | : Science |
| ISBN | : 1921313234 |
"There is a symbiotic relationship between theoretical nonequilibrium statistical mechanics on the one hand and the theory and practice of computer simulation on the other. Sometimes, the initiative for progress has been with the pragmatic requirements of computer simulation and at other times, the initiative has been with the fundamental theory of nonequilibrium processes. This book summarises progress in this field up to 1990"--Publisher's description.
| Author | : W.G. Hoover |
| Publisher | : Elsevier |
| Total Pages | : 330 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0444596593 |
Computational Statistical Mechanics describes the use of fast computers to simulate the equilibrium and nonequilibrium properties of gases, liquids, and solids at, and away from equilibrium. The underlying theory is developed from basic principles and illustrated by applying it to the simplest possible examples. Thermodynamics, based on the ideal gas thermometer, is related to Gibb's statistical mechanics through the use of Nosé-Hoover heat reservoirs. These reservoirs use integral feedback to control temperature. The same approach is carried through to the simulation and analysis of nonequilibrium mass, momentum, and energy flows. Such a unified approach makes possible consistent mechanical definitions of temperature, stress, and heat flux which lead to a microscopic demonstration of the Second Law of Thermodynamics directly from mechanics. The intimate connection linking Lyapunov-unstable microscopic motions to macroscopic dissipative flows through multifractal phase-space structures is illustrated with many examples from the recent literature. The book is well-suited for undergraduate courses in advanced thermodynamics, statistical mechanic and transport theory, and graduate courses in physics and chemistry.
| Author | : Giovanni Ciccotti |
| Publisher | : MDPI |
| Total Pages | : 627 |
| Release | : 2018-10-08 |
| Genre | : Science |
| ISBN | : 3906980650 |
Printed Edition of the Special Issue Published in Entropy
| Author | : William Graham Hoover |
| Publisher | : World Scientific |
| Total Pages | : 426 |
| Release | : 2012 |
| Genre | : Mathematics |
| ISBN | : 9814383163 |
The book begins with a discussion, contrasting the idealized reversibility of basic physics against the pragmatic irreversibility of real life. Computer models, and simulation, are next discussed and illustrated. Simulations provide the means to assimilate concepts through worked-out examples. State-of-the-art analyses, from the point of view of dynamical systems, are applied to many-body examples from nonequilibrium molecular dynamics and to chaotic irreversible flows from finite-difference, finite-element, and particle-based continuum simulations. Two necessary concepts from dynamical-systems theory - fractals and Lyapunov instability - are fundamental to the approach. Undergraduate-level physics, calculus, and ordinary differential equations are sufficient background for a full appreciation of this book, which is intended for advanced undergraduates, graduates, and research workers.
| Author | : D. C. Rapaport |
| Publisher | : Cambridge University Press |
| Total Pages | : 568 |
| Release | : 2004-04 |
| Genre | : Science |
| ISBN | : 9780521825689 |
First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
| Author | : Daniel M. Zuckerman |
| Publisher | : CRC Press |
| Total Pages | : 356 |
| Release | : 2010-06-02 |
| Genre | : Mathematics |
| ISBN | : 1420073796 |
From the hydrophobic effect to protein-ligand binding, statistical physics is relevant in almost all areas of molecular biophysics and biochemistry, making it essential for modern students of molecular behavior. But traditional presentations of this material are often difficult to penetrate. Statistical Physics of Biomolecules: An Introduction brin
| Author | : R. P. Rastogi |
| Publisher | : Elsevier |
| Total Pages | : 357 |
| Release | : 2007-10-16 |
| Genre | : Technology & Engineering |
| ISBN | : 0080551807 |
Introduction to Non-equilibrium Physical Chemistry presents a critical and comprehensive account of Non-equilibrium Physical Chemistry from theoretical and experimental angle. It covers a wide spectrum of non-equilibrium phenomena from steady state close to equilibrium to non-linear region involving transition to bistability, temporal oscillations, spatio-temporal oscillations and finally to far from equilibrium phenomena such as complex pattern formation, dynamic instability at interfaces, Chaos and complex growth phenomena (fractals) in Physico-chemical systems. Part I of the book deals with theory and experimental studies concerning transport phenomena in membranes (Thermo-osmosis,Electroosmotic ) and in continuous systems (Thermal diffusion,Soret effect) close to equilibrium Experimental tests provide insight into the domain of validity of Non-equilibrium Thermodynamics ,which is the major theoretical tool for this region. Later developments in Extended Irreversible Thermodynamics and Non-equilibrium Molecular dynamics have been discussed in the Appendix. Part II deals with non-linear steady states and bifurcation to multistability, temporal and spatio- temporal oscillations (Chemical waves). Similarly Part II deals with more complex phenomena such as Chaos and fractal growth occurring in very far from equilibrium region. Newer mathematical techniques for investigating such phenomena along with available experimental studies. Part IV deals with analogous non-equilibrium phenomena occurring in the real systems (Socio-political, Finance and Living systems etc.) for which physico-chemical systems discussed in earlier chapters provide a useful model for development of theories based on non-linear science and science of complexity. - The book provides a critical account of theoretical studies on non-equilibrium phenomenon from region close to equilibrium to far equilibrium - Experimental studies have been reported which provide test of the theories and their limitations - Impacts of the concepts developed in non-equilibrium Physical Chemistry in sociology, economics and other social science and living systems has been discussed
| Author | : Robert Zwanzig |
| Publisher | : Oxford University Press, USA |
| Total Pages | : 233 |
| Release | : 2001-05-17 |
| Genre | : Science |
| ISBN | : 0195140184 |
This is a presentation of the main ideas and methods of modern nonequilibrium statistical mechanics. It is the perfect introduction for anyone in chemistry or physics who needs an update or background in this time-dependent field. Topics covered include fluctuation-dissipation theorem; linear response theory; time correlation functions, and projection operators. Theoretical models are illustrated by real-world examples and numerous applications such as chemical reaction rates and spectral line shapes are covered. The mathematical treatments are detailed and easily understandable and the appendices include useful mathematical methods like the Laplace transforms, Gaussian random variables and phenomenological transport equations.
