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书名：	Non-Equilibrium Thermodynamics of Heterogeneous Systems
作者：	Kjelstrup, Signe; Bedeaux, Dick
出版时间：	2008-02-22
ISBN：	9789812779137(P-ISBN) ，9789812779144(O-ISBN)
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Contents Preface 1 Scope 1.1 What is non-equilibrium thermodynamics?1.2 Non-equilibrium thermodynamics in the context of other theories 1.3 The purpose of this book 2 Why Non-Equilibrium Thermodynamics?2.1 Simple flux equations 2.2 Flux equations with coupling terms 2.3 Experimental designs and controls 2.4 Entropy production, work and lost work 2.5 Consistent thermodynamic models 3 Thermodynamic Relations for Heterogeneous Systems 3.1 Two homogeneous phases separated by a surface in global equilibrium 3.2 The contact line in global equilibrium 3.3 Defining thermodynamic variables for the surface 3.4 Local thermodynamic identities 3.5 Defining local equilibrium 3.A Appendix: Partial molar properties 3.A.1 Homogeneous phases 3.A.2 The surface 3.A.3 The standard state Part A: General Theory 4 The Entropy Production for a Homogeneous Phase 4.1 Balance equations 4.2 The entropy production 4.2.1 Why one should not use the dissipation function 4.2.2 States with minimum entropy production 4.3 Examples 4.4 Frames of reference for fluxes in homogeneous systems 4.4.1 Definitions of frames of reference 4.4.2 Transformations between the frames of reference 4.A Appendix: The first law and the heat flux 5 The Excess Entropy Production for the Surface 5.1 The discrete nature of the surface 5.2 The behavior of the electric fields and potential through the surface 5.3 Balance equations 5.4 The excess entropy production 5.4.1 Reversible processes at the interface and the Nernst equation 5.4.2 The surface potential jump at the hydrogen electrode 5.5 Examples 6 The Excess Entropy Production for a Three Phase Contact Line 6.1 The discrete nature of the contact line 6.2 Balance equations 6.3 The excess entropy production 6.4 Stationary states 6.5 Concluding comment 7 Flux Equations and Onsager Relations 7.1 Flux-force relations 7.2 Onsager’s reciprocal relations 7.3 Relaxation to equilibrium. Consequences of violating Onsager relations 7.4 Force-flux relations 7.5 Coe cient bounds 7.6 The Curie principle applied to surfaces and contact lines 8 Transport of Heat and Mass 8.1 The homogeneous phases 8.2 Coe cient values for homogeneous phases 8.3 The surface 8.3.1 Heats of transfer for the surface 8.4 Solution for the heterogeneous system 8.5 Scaling relations between surface and bulk resistivities 9 Transport of Heat and Charg 9.1 The homogeneous phases 9.2 The surface 9.3 Thermoelectric coolers 9.4 Thermoelectric generators 9.5 Solution for the heterogeneous system 10 Transport of Mass and Charge 10.1 The electrolyte 10.2 The electrode surfaces 10.3 Solution for the heterogeneous system 10.4 A salt power plant 10.5 Electric power from volume flow 10.6 Ionic mobility model for the electrolyte 10.7 Ionic and electronic model for the surface Part B: Applications 11 Evaporation and Condensation 11.1 Evaporation and condensation in a pure fluid 11.1.1 The entropy production and the flux equations 11.1.2 Interface resistivities from kinetic theory 11.2 The sign of the heats of transfer of the surface 11.3 Coe cients from molecular dynamics simulations 11.4 Evaporation and condensation in a two-component fluid 11.4.1 The entropy production and the flux equations 11.4.2 Interface resistivities from kinetic theory 12 Multi-Component Heat and Mass Di usion 12.1 The homogeneous phases 12.2 The Maxwell–Stefan equations for multi-component di usion 12.3 The Maxwell–Stefan equations for the surface 12.4 Multi-component di usion 12.4.1 Prigogine’s theorem 12.4.2 Di usion in the solvent frame of reference 12.4.3 Other frames of reference 12.4.4 An example: Kinetic demixing of oxides 12.5 A relation between the heats of transfer and the enthalpy 13 A Nonisothermal Concentration Cell 13.1 The homogeneous phases 13.1.1 Entropy production and flux equations for the anode 13.1.2 Position dependent transport coe cients 13.1.3 The profiles of the homogeneous anode 13.1.4 Contributions from the cathode 13.1.5 The electrolyte contribution 13.2 Surface contributions 13.2.1 The anode surface 13.2.2 The cathode surface 13.3 The thermoelectric potential 14 The Transported Entropy 14.1 The Seebeck coe cient of cell a 14.2 The transported entropy of Pb2+ in cell a 14.3 The transported entropy of the cation in cell b 14.4 The transported entropy of the ions cell c 14.5 Transformation properties 14.6 Concluding comments 15 Adiabatic Electrode Reactions 15.1 The homogeneous phases 15.1.1 The silver phases 15.1.2 The silver chloride phases 15.1.3 The electrolyte 15.2 The interfaces 15.2.1 The silver-silver chloride interfaces 15.2.2 The silver chloride-electrolyte interfaces 15.3 Temperature and electric potential profiles 16 The Liquid Junction Potential 16.1 The flux equations for the electrolyte 16.2 The liquid junction potential 16.3 Liquid junction potential calculations compared 16.4 Concluding comments 17 The Formation Cell 17.1 The isothermal cell 17.1.1 The electromotive force 17.1.2 The transference coe cient of the salt in the electrolyte 17.1.3 An electrolyte with a salt concentration gradient 17.1.4 The Planck potential derived from ionic fluxes and forces 17.2 A non-isothermal cell with a non-uniform electrolyte 17.2.1 The homogeneous anode phase 17.2.2 The electrolyte 17.2.3 The surface of the anode 17.2.4 The homogeneous phases and the surface of the cathode 17.2.5 The cell potential 17.3 Concluding comments 18 Power from Regular and Thermal Osmosis 18.1 The potential work of a salt power plant 18.2 The membrane as a barrier to transport of heat and mass 18.3 Membrane transport of heat and mass 18.4 Osmosis 18.5 Thermal osmosis 19 Modeling the Polymer Electrolyte Fuel Cell 19.1 The potential work of a fuel cell .19.2 The cell and its five subsystems 19.3 The electrode backing and the membrane 19.3.1 The entropy production in the homogeneous phases 19.3.2 The anode backing 19.3.3 The membrane 19.3.4 The cathode backing 19.4 The electrode surfaces 19.4.1 The anode catalyst surface 19.4.2 The cathode catalyst surface 19.5 A model in agreement with the second law 19.6 Concluding comments 20 Measuring Membrane Transport Properties 20.1 The membrane in equilibrium with electrolyte solutions 20.2 The membrane resistivity 20.3 Ionic transport numbers 20.4 The transference number of water and the water permeability 20.5 The Seebeck coe cient 20.6 Interdi usion coe cients 21 The Impedance of an Electrode Surface 21.1 The hydrogen electrode. Mass balances 21.2 The oscillating field 21.3 Reaction Gibbs energies 21.4 The electrode surface impedance 21.4.1 The adsorption-di usion layer in front of the catalyst 21.4.2 The charge transfer reaction 21.4.3 The impedance spectrum 21.5 A test of the model 21.6 The reaction overpotential 22 Non-Equilibrium Molecular Dynamics Simulations 22.1 The system 22.1.1 The interaction potential 22.2 Calculation techniques 22.3 Verifying the assumption of local equilibrium 22.3.1 Local equilibrium in a homogeneous binary mixture 22.3.2 Local equilibrium in a gas-liquid interface 22.4 Verifications of the Onsager relations 22.4.1 A homogeneous binary mixture 22.4.2 A gas-liquid interface 22.5 Linearity of the flux-force relations 22.6 Molecular mechanisms 23 The Non-Equilibrium Two-Phase van der Waals Model 23.1 Van der Waals equation of states 23.2 Van der Waals square gradient model for the interfacial region 23.3 Balance equations 23.4 The entropy production 23.5 Flux equations 23.6 A numerical solution method 23.7 Procedure for extrapolation of bulk densities and fluxes 23.8 Defining excess densities 23.9 Thermodynamic properties of Gibbs’ surface 23.10 An autonomous surface .23.11 Excess densities depend on the choice of dividing surface 23.11.1 Properties of dividing surfaces 23.11.2 Surface excess densities for two dividing surfaces 23.11.3 The surface temperature from excess density di erences 23.12 The entropy balance and the excess entropy production 23.13 Resistivities to heat and mass transfer 23.14 Concluding comments References Symbol Lists Index About the Authors

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