Nonequilibrium processes in fluids

The theory of propagation of flames and detonations is based on the hydrod5mamic equations of change. These equations represent the overall conservation of momentum and energy in molecular collisions and the rate of change of molecular species due to chemical reactions and diffusion. In this way, we obtain the most general description of nonequilibrium processes in fluids. 

Classical Dynamics of Nonequilibrium Processes in Fluids Integrating the Classical Equations of Motion Classical Trajectory Simulations Final Conditions Mixed... 

Classical Dynamics of Nonequilibrium Processes in Fluids Integrating the Classical Equations of Motion Control of Microworld Chemical and Physical Processes Mixed Quantum-Classical Methods Multiphoton Excitation Non-adiabatic Derivative Couplings Photochemistry Rates of Chemical Reactions Reactive Scattering of Polyatomic Molecules Spectroscopy Computational Methods State to State Reactive Scattering Statistical Adiabatic Channel Models Time-dependent Multiconfigurational Hartree Method Trajectory Simulations of Molecular Collisions Classical Treatment Transition State Theory Unimolecular Reaction Dynamics Valence Bond Curve Crossing Models Vibrational Energy Level Calculations Vibronic Dynamics in Polyatomic Molecules Wave Packets. 

The simulation of condensed phase systems by statistical mechanical methods has become a major research area in recent years. Of course, much of this work has been directed toward biologically relevant systems. The contributions in this section of ECC tend toward theory as much as computation and include the articles by Rob Coal son Poisson-Boltzmann Type Equations Numerical Methods), Peter Cummings Classical Dynamics of Nonequilibrium Processes in Fluids), a second article by Cummings Supercritical Water and Aqueous Solutions Molecular Simulation), Brian Laird Interfaces Liquid-Solid), Chi Mak Condensed-... 

Samohyl, I., Thermodynamics of Irreversible Processes in Fluid Mixtures Approached by Rational Thermodynamics. 1987, Leipzig B. G. Teubner. Stratonovich, R. L., Nonlinear Nonequilibrium Thermodynamics. 1992, New York Springer-Verlag. 

Kinetic Theory. In the kinetic theory and nonequilibrium statistical mechanics, fluid properties are associated with averages of pruperlies of microscopic entities. Density, for example, is the average number of molecules per unit volume, times the mass per molecule. While much of the molecular theory in fluid dynamics aims to interpret processes already adequately described by the continuum approach, additional properties and processes are presented. The distribution of molecular velocities (i.e., how many molecules have each particular velocity), time-dependent adjustments of internal molecular motions, and momentum and energy transfer processes at boundaries are examples. 

However, nonequilibrium processes occur in many systems containing emulsifiers at fluid interfaces (Figure 14.1). Thus, relaxation phenomena have great importance from a practical point of view in emulsifier films that stabilize food dispersions. The d)mamic phenomena and the development of intermolecular associations at the interface lead to alterations in surface properties that have measurable rheological consequences (Murray and Dickinson, 1996 Murray, 1998,2002 Bos and van Vliet, 2001) that is, surface... 

The assertion that the results (3.171) with properties (3.174), (3.175) (in fact the same as in classical thermodynamics and proved in this model of nonsimple fluid) are valid even at nonequilibrium process (at nonzero o in (3.178)) is known as local equilibrium. This was taken as a starting principle in the classical theories of nonequilibrium processes [36, 80]. But in more complicated models local equilibrium need not be valid, cf. Sect. 2.2. 

The rates of nonequilibrium processes could be specifled by time derivatives of intensive variables, but other variables are customarily used. The rate of heat flow is customarily specifled by the heat flux, which is a vector q in the direction of the flow of heat and with magnitude equal to the quantity of heat in joules per square meter per second passing through a plane perpendicular to the direction of heat flow. The rate of diffusion of substance i is specified by its diffusion flux, which is a vector J,- that has the direction of the average velocity of the molecules of substance i and a magnitude equal to the net amount of the substance in moles per square meter per second passing through a plane perpendicular to the direction of diffusion. In precise discussions of diffusion one must specify whether the plane is stationary in the laboratory or is stationary with respect to the center of mass of a small portion of the fluid in the system, etc. We will assume that our plane is stationary in the laboratory. 

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