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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
Markedly apart from elementary particle physics, another current has been building up and cont i nuous ly growi ng within contemporary phys i cs for severa 1 decades, and even expanding into many other disciplines, especially chemistry, biology and, quite recently, economics. Several reasons account for this: presumably the most impor tant one lies in the fact that, whatever the specific problem, model or material concerned, the same basic mathematical features are always involved. In this way, a general phenomenology has emerged which, unlike thermodynamics, is no longer depen dent upon the details or specifics: what largely prevails is the nonlinear charac ter of the underlying dynamics. Perhaps we are witnessing the emergence of a "non linear physics"--In a way similar to the birth of "quantum physics" in the twen ties - a physics which deals with the general behaviour of systems, whatever they are or may be. Over the past fifteen years, chemical systems evolving sufficiently far from equilibrium have proved to be particularly well fitted to experimental research on nonlinear behaviour: oscillation, multistability, birhythmicity, chaotic evolution, spatial self-organization and hysteresis are displayed by chemical reactions whose number is growing each year. In this volume are collected the lectures, communica tions and posters (abstracts) presented at an international meeting entitled: "Non-Equilibrium Dynamics in Chemical Systems", held in Bordeaux (France), Septem ber 3 rd-lth, 1984.
The purpose of this book is to encourage the use of non-equilibrium thermodynamics to describe transport in complex, heterogeneous media. With large coupling effects between the transport of heat, mass, charge and chemical reactions at surfaces, it is important to know how one should properly integrate across systems where different phases are in contact. No other book gives a prescription of how to set up flux equations for transports across heterogeneous systems.The authors apply the thermodynamic description in terms of excess densities, developed by Gibbs for equilibrium, to non-equilibrium systems. The treatment is restricted to transport into and through the surface. Using local equilibrium together with the balance equations for the surface, expressions for the excess entropy production of the surface and of the contact line are derived. Many examples are given to illustrate how the theory can be applied to coupled transport of mass, heat, charge and chemical reactions; in phase transitions, at electrode surfaces and in fuel cells. Molecular simulations and analytical studies are used to add insight.
A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.
Classic monograph treats irreversible processes and phenomena of thermodynamics: non-equilibrium thermodynamics. Covers statistical foundations and applications with chapters on fluctuation theory, theory of stochastic processes, kinetic theory of gases, more.
Membranes, Dissipative Structures, and Evolution Edited by G. Nicolis & R. Lefever Focuses on the problem of the emergence/maintenance of biological order at successively higher levels of complexity. Covers the spatiotemporal organization of simple biochemical networks; the formation of pluricellular or macromolecular assemblies; the evolution of these structures; and the functions of specific biological structures. Volume 29 in Advances in Chemical Physics Series, I. Prigogine & Stuart A. Rice, Editors. 1975 Theory and Applications of Molecular Paramagnetism Edited by E. A. Boudreaux & L. N. Mulay Comprehensively treats the basic theory of paramagnetic phenomena from both the classical and mechanical vantages. It examines the magnetic behavior of Lanthanide and Actinide elements as well as traditional transition metals. For each class of compounds, appropriate details of descriptive and mathematical theory are given before their applications. 1976 Theory and Aapplications of Molecular Diamagnetism Edited by L. N. Mulay & E. A. Boudreaux An invaluable reference for solving chemical problems in magnetics, magnetochemistry, and related areas where magnetic data are important, such as solid-state physics and optical spectroscopy. 1976
In the present monograph, we develop the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures and discuss its applications to strongly non-equilibrium conditions. The main attention is focused on the influence of non-equilibrium kinetics on gas dynamics and transport properties. Closed systems of fluid dynamic equations are derived from the kinetic equations in different approaches. We consider the most accurate approach taking into account the state-to-state kinetics in a flow, as well as simplified multi-temperature and one-temperature models based on quasi-stationary distributions. Within these approaches, we propose the algorithms for the calculation of the transport coefficients and rate coefficients of chemical reactions and energy exchanges in non-equilibrium flows; the developed techniques are based on the fundamental kinetic theory principles. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles. The comparison of the results obtained within the frame of different approaches is presented, the advantages of the new state-to-state kinetic model are discussed, and the limits of validity for simplified models are established. The book can be interesting for scientists and graduate students working on physical gas dynamics, aerothermodynamics, heat and mass transfer, non-equilibrium physical-chemical kinetics, and kinetic theory of gases.
Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, Third Edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapter on stochastic approaches to include the statistical thermodynamics, mesoscopic nonequilibrium thermodynamics, fluctuation theory, information theory, and modeling the coupled biochemical systems in thermodynamic analysis. This new addition also comes with more examples and practice problems. - Informs and updates on all the latest developments in the field - Contributions from leading authorities and industry experts - A useful text for seniors and graduate students from diverse engineering and science programs to analyze some nonequilibrium, coupled, evolutionary, stochastic, and dissipative processes - Highlights fundamentals of equilibrium thermodynamics, transport processes and chemical reactions - Expands the theory of nonequilibrium thermodynamics and its use in coupled transport processes and chemical reactions in physical, chemical, and biological systems - Presents a unified analysis for transport and rate processes in various time and space scales - Discusses stochastic approaches in thermodynamic analysis including fluctuation and information theories - Has 198 fully solved examples and 287 practice problems - An Instructor Resource containing the Solution Manual can be obtained from the author: [email protected]
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
"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.