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Nonequilibrium

Since the crystal shape, or habit, can be determined by kinetic and other nonequilibrium effects, an actud crystal may have faces that differ from those of the Wulff construction. For example, if a (100) plane is a stable or singular plane but by processing one produces a plane at a small angle to this, describable as an (xOO) plane, where x is a large number, the surface may decompose into a set of (100) steps and (010) risers [39]. [Pg.261]

Actual crystal planes tend to be incomplete and imperfect in many ways. Nonequilibrium surface stresses may be relieved by surface imperfections such as overgrowths, incomplete planes, steps, and dislocations (see below) as illustrated in Fig. VII-5 [98, 99]. The distribution of such features depends on the past history of the material, including the presence of adsorbing impurities [100]. Finally, for sufficiently small crystals (1-10 nm in dimension), quantum-mechanical effects may alter various physical (e.g., optical) properties [101]. [Pg.272]

An indirect estimate of surface tension may be obtained from the change in lattice parameters of small crystals such as magnesium oxide and sodium chloride owing to surface tensional compression [121] however, these may represent nonequilibrium surface stress rather than surface tension [68]. Surface stresses may produce wrinkling in harder materials [122]. [Pg.278]

The foregoing is an equilibrium analysis, yet some transient effects are probably important to film resilience. Rayleigh [182] noted that surface freshly formed by some insult to the film would have a greater than equilibrium surface tension (note Fig. 11-15). A recent analysis [222] of the effect of surface elasticity on foam stability relates the nonequilibrium surfactant surface coverage to the foam retention time or time for a bubble to pass through a wet foam. The adsorption process is important in a new means of obtaining a foam by supplying vapor phase surfactants [223]. [Pg.524]

McCourt F R, Beenakker J, Kohler W E and Kijscer I 1990 Nonequilibrium Phenomena In Polyatomic Gases. 1. Dilute Gases (Oxford Clarendon)... [Pg.215]

Keizer J 1987 Statistical Thermodynamics of Nonequilibrium Processes (New York Springer)... [Pg.691]

Lavenda B H 1985 Nonequilibrium Statistical Thermodynamics (New York Wley) oh 3... [Pg.714]

Kirkpatrick T R, Cohen E G D and Dorfman J R 1982 Light scattering by a fluid in a nonequilibrium steady state. II. Large gradients Phys. Rev. A 26 995... [Pg.715]

Katchalsky A and Curran P F 1965 Nonequilibrium Thermodynamics in Biophysics (Cambridge, MA ITarvard University Press)... [Pg.715]

Lavenda B FI 1985 Nonequilibrium. Statistical Thermodynamics (New York Wiley)... [Pg.715]

Van der Zwan G and Hynes J T 1983 Nonequilibrium solvation dynamics in solution reaction J. Chem. Phys. 78 4174-85... [Pg.866]

Castets V, Dulos E, Boissonade J and De Kepper P 1990 Experimental evidence of a sustained standing Turing-type nonequilibrium structure Rhys. Rev. Lett. 64 2953-6... [Pg.1117]

Evans D J and Morriss G P 1990 Statistical Mechanics of Nonequilibrium Liquids (London Academic)... [Pg.2280]

Holian B L 1996 The character of the nonequilibrium steady state beautiful formalism meets ugly reality Monte Carlo and Molecular Dynamics of Condensed Matter Systems, vol 49, ed K Binder and G Ciccotti (Bologna Italian Physical Society) pp 791-822... [Pg.2280]

Hoover W G, Ladd A J C and Moran B 1982 High strain rate plastic flow studied via nonequilibrium molecular dynamics Phys. Rev.L 48 1818-20... [Pg.2283]

Ciccotti G and Ferrario M 1998 Constrained and nonequilibrium molecular dynamics Classical and Quantum Dynamics In Condensed Phase Simulations ed B J Berne, G Ciccotti and D F Coker (Singapore World Scientific) pp 157-77... [Pg.2288]

Holian B L and Lomdahl P S 1998 Plasticity induced by shockwaves in nonequilibrium molecular-dynamics simulations Soienoe 280 2085-8... [Pg.2289]

VER in liquid O 2 is far too slow to be studied directly by nonequilibrium simulations. The force-correlation function, equation (C3.5.2), was computed from an equilibrium simulation of rigid O2. The VER rate constant given in equation (C3.5.3) is proportional to the Fourier transfonn of the force-correlation function at the Oj frequency. Fiowever, there are two significant practical difficulties. First, the Fourier transfonn, denoted [Pg.3041]

Ben]amin I, Barbara P F, Gertner B J and Hynes J T 1995 Nonequilibrium free energy functions, recombination dynamics, and vibrational relaxation of tjin acetonitrile molecular dynamics of charge flow in the electronically adiabatic limit J. Phys. Chem. 99 7557-67... [Pg.3053]

Mavri, J., Berendsen, H.J.C., Van Gunsteren, W.F. Influence of solvent on intramolecular proton transfer in hydrogen malonate. Molecular dynamics study of tunneling by density matrix evolution and nonequilibrium solvation. J. Phys. Chem. 97 (1993) 13469-13476. [Pg.34]

Jarzynski, 1997a] Jarzynski, C. Equilibrium free-energy differences from nonequilibrium measurements A master equation approach. Phys. Rev. E. 56 (1997a) 5018-5035... [Pg.62]

Jarzynski, 1997b] Jarzynski, C. Nonequilibrium equality for free energy differences. Phys. Rev. Lett. 78 (1997b) 2690-2693... [Pg.62]

Nicolis, G., Prigogine, I. Self-organization in nonequilibrium systems. John Willey Sons, New York (1977) 512... [Pg.126]

Multiphase and nonequilibrium simulations are extremely difficult. These usually entail both a large amount of computing resources and a lot of technical expertise on the part of the researcher. Readers of this book are urged to refer such projects to specialists in this area. [Pg.65]

It is also possible to simulate nonequilibrium systems. For example, a bulk liquid can be simulated with periodic boundary conditions that have shifting boundaries. This results in simulating a flowing liquid with laminar flow. This makes it possible to compute properties not measurable in a static fluid, such as the viscosity. Nonequilibrium simulations give rise to additional technical difficulties. Readers of this book are advised to leave nonequilibrium simulations to researchers specializing in this type of work. [Pg.305]

Polymers are difficult to model due to the large size of microcrystalline domains and the difficulties of simulating nonequilibrium systems. One approach to handling such systems is the use of mesoscale techniques as described in Chapter 35. This has been a successful approach to predicting the formation and structure of microscopic crystalline and amorphous regions. [Pg.307]

Due to the noncrystalline, nonequilibrium nature of polymers, a statistical mechanical description is rigorously most correct. Thus, simply hnding a minimum-energy conformation and computing properties is not generally suf-hcient. It is usually necessary to compute ensemble averages, even of molecular properties. The additional work needed on the part of both the researcher to set up the simulation and the computer to run the simulation must be considered. When possible, it is advisable to use group additivity or analytic estimation methods. [Pg.309]

As a system moves from a nonequilibrium to an equilibrium position, AG must change from its initial value to zero. At the same time, the species involved in the reaction undergo a change in their concentrations. The Gibb s free energy, therefore, must be a function of the concentrations of reactants and products. [Pg.137]

In general, the sensitivity of FIA is less than that for conventional methods of analysis for two principal reasons. First, as with chemical kinetic methods, measurements in FIA are made under nonequilibrium conditions when the signal has yet to reach its maximum value. Second, dispersion of the sample as it progresses through the system results in its dilution. As discussed earlier, however, the variables that influence sensitivity are known. As a result the FIA manifold can be designed to optimize the sensitivity of the analysis. [Pg.658]

A cross-linked product with unsaturation at the chain ends does, indeed, have a higher modulus. This could be of commercial importance and indicates that industrial products might be formed by a nonequilibrium process precisely for this sort of reason. [Pg.304]

Significant disciepancies in fomialdehyde partial pressures above aqueous solutions (22,23) can occur due to nonequilibrium conditions in the liquid phase. However, these problems have been overcome and consistent results obtained (8,18,22,24—26). [Pg.491]


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Adsorption nonequilibrium

Advantages and Shortcomings of Exclusion-Based Nonequilibrium Photodetectors

Bio-molecular simulation nonequilibrium approaches

Biological systems, nonequilibrium

Biological systems, nonequilibrium thermodynamics

Boundary term nonequilibrium steady state systems

Chemical evolution nonequilibrium thermodynamics

Chemical evolution, nonequilibrium

Chemical processes nonequilibrium

Chemical reaction rate, nonequilibrium effects

Chromatography nonequilibrium effects

Chromatography nonequilibrium theory

Classical dynamics of nonequilibrium processes in fluids

Clausius inequality and the change of entropy for nonequilibrium processes

Columns nonequilibrium stage model

Correlation functions nonequilibrium

Current nonequilibrium

Diffusion nonequilibrium techniques

Dissipative macroscopic systems nonequilibrium thermodynamics

Distillation nonequilibrium modeling

Dynamics of Nonequilibrium Processes in Fluids

Electrochemical cell nonequilibrium

Electrons nonequilibrium behavior

Entropy change nonequilibrium steady states

Entropy nonequilibrium conditions

Entropy nonequilibrium thermodynamics

Entropy theory nonequilibrium steady state systems

Equation nonequilibrium

Equilibrium and Nonequilibrium

Equilibrium and Nonequilibrium Systems

Equilibrium and Nonequilibrium-Stage Concepts

Equilibrium and nonequilibrium structures

Equilibrium/nonequilibrium processe

Equilibrium/nonequilibrium theory

Excited states nonequilibrium solvation

Experimental Evidence for Protein Nonequilibrium States and Their Evolution in the Course of Enzyme Turnover

Experimental Results on Excluded Nonequilibrium Photodetectors

Extended nonequilibrium thermodynamics

Fermi Levels under Nonequilibrium Conditions

Fluctuation theorems nonequilibrium states

Fluctuation-dissipation theorem of linear nonequilibrium thermodynamics

Fluids nonequilibrium processes

Free energy nonequilibrium

Front nonequilibrium

Fundamentals of nonequilibrium thermodynamics

General Model of Nonequilibrium Photodetectors with Auger Suppression

Geochemical Nonequilibrium Effects

Global nonequilibrium

Hole nonequilibrium fraction

Homogeneous bifurcations, nonequilibrium

Hydrodynamics nonequilibrium thermodynamics, time

Ice Crystals under Nonequilibrium Conditions

Irreversible process nonequilibrium steady states

Irreversible processes, equilibrium nonequilibrium thermodynamics

Jarzynski’s nonequilibrium work relations

Kinetics, nonequilibrium adsorption

Limits of Nonequilibrium Detector Operation

Linear nonequilibrium thermodynamic

Linear nonequilibrium thermodynamics

Linearity nonequilibrium thermodynamics, Prigogine

Local nonequilibrium

Mass Transport and Nonequilibrium Thermodynamics

Maximum Fields for Nonequilibrium Suppression

Measurement nonequilibrium techniques

Mesoscopic nonequilibrium thermodynamics

Microstructure nonequilibrium cooling

Models nonequilibrium

Molecular dynamics nonequilibrium

Molecular machines, nonequilibrium

Molecular modeling nonequilibrium approaches

Mosaic nonequilibrium thermodynamics

Multiscale nonequilibrium thermodynamics

NONEQUILIBRIUM STATIONARY STATES AND THEIR STABILITY LINEAR REGIME

NONEQUILIBRIUM SYSTEMS IN NATURAL WATERS

NONEQUILIBRIUM THERMODYNAMICS IN METAMORPHISM

NONEQUILIBRIUM THERMODYNAMICS THE LINEAR REGIME

Noise in Nonequilibrium Magnetoconcentration Photodetectors

Nonequilibrium Brownian dynamics

Nonequilibrium Displacement Variables of Mayer and Co-workers

Nonequilibrium Effects in Chromatography the van Deemter Equation

Nonequilibrium Extension of Omega Method

Nonequilibrium Fluctuations in Corrosion

Nonequilibrium Green function

Nonequilibrium Green function method

Nonequilibrium Green s function

Nonequilibrium Greens Function Formalism

Nonequilibrium Interfacial Potential

Nonequilibrium Interfacial Tensions

Nonequilibrium Ion-Selective Electrodes

Nonequilibrium Kinetic Theory

Nonequilibrium Methods for Computing Transport Properties

Nonequilibrium Modeling

Nonequilibrium Molecular Dynamics and Linear Response

Nonequilibrium Morphology Development

Nonequilibrium Multistages with Nonlinear Equilibrium Relations

Nonequilibrium Solvation Path

Nonequilibrium States of IPNs

Nonequilibrium Thermodynamics General Relations

Nonequilibrium Thermodynamics of Driven Systems

Nonequilibrium Thermodynamics—Diffusion and Electrophoresis

Nonequilibrium Work Free Energy Methods

Nonequilibrium adsorption isotherm

Nonequilibrium aging state

Nonequilibrium alloys

Nonequilibrium approaches

Nonequilibrium approaches computational uses

Nonequilibrium approaches experimental applications

Nonequilibrium approaches free energy calculations

Nonequilibrium approaches theoretical developments

Nonequilibrium blockade

Nonequilibrium capillary electrophoresis

Nonequilibrium capillary electrophoresis equilibrium mixtures

Nonequilibrium casting effects

Nonequilibrium cell model

Nonequilibrium compound

Nonequilibrium conditions

Nonequilibrium conditions, stationary states

Nonequilibrium considerations

Nonequilibrium cooling

Nonequilibrium crystal

Nonequilibrium decays

Nonequilibrium depletion

Nonequilibrium detector

Nonequilibrium distillation column

Nonequilibrium distillation column model

Nonequilibrium dynamic behavior

Nonequilibrium dynamics

Nonequilibrium effects

Nonequilibrium electrochemistry

Nonequilibrium energy transfer

Nonequilibrium ensemble

Nonequilibrium ensemble average

Nonequilibrium evolution

Nonequilibrium field

Nonequilibrium fluctuations, small systems

Nonequilibrium freezing

Nonequilibrium glassy state

Nonequilibrium glassy state determination

Nonequilibrium interaction

Nonequilibrium kinetics

Nonequilibrium lattice fluid model

Nonequilibrium liquid state molecular

Nonequilibrium liquid state molecular theory

Nonequilibrium mechanism

Nonequilibrium method, condensation

Nonequilibrium methods

Nonequilibrium migration

Nonequilibrium molecular

Nonequilibrium molecular dynamics NEMD)

Nonequilibrium morphology

Nonequilibrium neutron scattering

Nonequilibrium noise

Nonequilibrium open circuit potential

Nonequilibrium pH gradient

Nonequilibrium pH gradient electrophoresis

Nonequilibrium phase diagram

Nonequilibrium phase transitions

Nonequilibrium phases

Nonequilibrium phases, formation during

Nonequilibrium phenomena

Nonequilibrium physics

Nonequilibrium plasmas

Nonequilibrium polarization

Nonequilibrium polymer crystals, free

Nonequilibrium process applications

Nonequilibrium process thermodynamics

Nonequilibrium processes

Nonequilibrium processes in fluids

Nonequilibrium processes stressed glasses

Nonequilibrium properties

Nonequilibrium rate processes

Nonequilibrium reactions

Nonequilibrium regions

Nonequilibrium response

Nonequilibrium separation

Nonequilibrium simulations

Nonequilibrium solid body

Nonequilibrium solvation

Nonequilibrium solvation effects

Nonequilibrium solvation models

Nonequilibrium solvent polarization

Nonequilibrium source

Nonequilibrium stage

Nonequilibrium stage model

Nonequilibrium stage model condensers

Nonequilibrium stage model rate equations

Nonequilibrium stage model reboilers

Nonequilibrium stage model solution

Nonequilibrium state, evolution from

Nonequilibrium states

Nonequilibrium stationary

Nonequilibrium stationary state

Nonequilibrium stationary states, stability

Nonequilibrium statistical mechanics

Nonequilibrium statistical mechanics coefficients

Nonequilibrium statistical mechanics dynamical systems

Nonequilibrium statistical mechanics entropy production

Nonequilibrium statistical mechanics hydrodynamics

Nonequilibrium statistical mechanics response

Nonequilibrium statistical mechanics time asymmetry

Nonequilibrium statistical thermodynamics

Nonequilibrium steady state

Nonequilibrium steady state fluctuations

Nonequilibrium steady state systems

Nonequilibrium structures

Nonequilibrium structures in time and space

Nonequilibrium symmetry breaking

Nonequilibrium synthesis

Nonequilibrium system with multiscale structure

Nonequilibrium systems

Nonequilibrium systems entropy

Nonequilibrium systems stability

Nonequilibrium techniques

Nonequilibrium temperature

Nonequilibrium temperatures, glassy dynamics

Nonequilibrium theories macroscopic

Nonequilibrium theories microscopic

Nonequilibrium theory

Nonequilibrium thermodynamic postulates

Nonequilibrium thermodynamics

Nonequilibrium thermodynamics and

Nonequilibrium thermodynamics entropy reactions

Nonequilibrium thermodynamics formalism

Nonequilibrium thermodynamics foundations

Nonequilibrium thermodynamics linear regime

Nonequilibrium thermodynamics local equilibrium assumption

Nonequilibrium thermodynamics point)

Nonequilibrium thermodynamics thermodynamic branch

Nonequilibrium thermodynamics transport processes

Nonequilibrium thermodynamics, chemical

Nonequilibrium thermodynamics, chemical dissipative structures

Nonequilibrium thermodynamics, chemical introduction

Nonequilibrium thermodynamics. See

Nonequilibrium time-dependent

Nonequilibrium transient state

Nonequilibrium work

Nonequilibrium zone spreading

Nonequilibrium, Rate-Based Model

Nonlinear nonequilibrium system

One-Dimensional Model of Nonequilibrium Photodetector

Onsager reciprocity relation nonequilibrium thermodynamics

Partition nonequilibrium

Plate height nonequilibrium

Polyethylene melting, nonequilibrium

Polymer conditioned nonequilibrium

Polymerization nonequilibrium

Potentiometric Nonequilibrium

Problems from nonequilibrium state

Protocol for Free Energy Estimates from Nonequilibrium Work Averages

Random walk and nonequilibrium theory

Reaction-Induced Phase Separation of Polymeric Systems under Stationary Nonequilibrium Conditions

Reaction-diffusion process nonequilibrium thermodynamics

Relaxation nonequilibrium

Reverse nonequilibrium molecular dynamics

Reverse nonequilibrium molecular dynamics RNEMD)

Rotational effects nonequilibrium

Small systems, nonequilibrium fluctuations temperatures

Solidification nonequilibrium

Some General Properties of Nonequilibrium Photodetectors

Stability in nonequilibrium systems

Stability of nonequilibrium stationary states

State variables, nonequilibrium states

Stationary States under Nonequilibrium Conditions

Stationary nonequilibrium condition

Statistical mechanics, nonlinear nonequilibrium

Statistical nonequilibrium

Stochastic aspects, nonequilibrium

Stochastic reaction kinetics nonequilibrium thermodynamics of state-space

Strategy to Analyze Nonequilibrium Systems

Surface reaction nonequilibrium adsorption

Textile (Nonequilibrium) Wetting

The General Equations of Change for Nonequilibrium Systems

The Macroscopic Description of Nonequilibrium States

The steady nonequilibrium space charge in concentration polarization at a permselective homogeneous interface

Thermodynamic model, nonequilibrium

Thermodynamic nonequilibrium

Thermodynamically nonequilibrium solids

Thermodynamics and Its Concepts in Nonequilibrium

Thermodynamics nonequilibrium approaches

Threading dislocation under nonequilibrium conditions

Time asymmetry, nonequilibrium statistical

Transition states nonequilibrium solvation

Transport Equation (Current Density in Nonequilibrium Detectors)

Transport, active nonequilibrium thermodynamics

Variables and Equations for a Nonequilibrium Stage

Vibrons nonequilibrium

Why Nonequilibrium Molecular Dynamics

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