Non-equilibrium thermodynamics of heterogeneous systems

Non-equilibrium Thermodynamics of Heterogeneous Systems

Volumn , Issue , 2008, Pages 1-434

  Kjelstrup, Signe ^a   Bedeaux, Dick ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85115945466     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1142/6672     Document Type: Book

References (306)

1. L. Waldmann. Non-equilibrium thermodynamics of boundary conditions. Z. Naturforschung, 22a:1269–1280, 1967.
2. D. Bedeaux, A.M. Albano and P. Mazur. Boundary conditions and nonequilibrium thermodynamics. Physica A, 82:438–462, 1976.
3. A.M. Albano and D. Bedeaux. Non-equilibrium electrothermo-dynamics of polarizable multicomponent fluids with an interface. Physica A, 147:407–435, 1987.
4. D. Bedeaux. Nonequilibrium thermodynamics and statistical physics of surfaces. Adv. Chem. Phys., 64:47–109, 1986.
5. D. Bedeaux and J. Vlieger. Optical Properties of Surfaces. Imperial College University Press, London, 1st edition, 2002.
6. D. Bedeaux and J. Vlieger. Optical Properties of Surfaces. Imperial College University Press, London, 2nd revised edition, 2004.
7. W. Thomson (Lord Kelvin). Mathematical and Physical Papers. Collected from different Scientific Periodicals from May, 1841, to the Present Time, Vol. II. Cambridge University Press, London, 1884.
8. L. Onsager. Reciprocal relations in irreversible processes. I. Phys. Rev., 37:405–426, 1931.
9. L. Onsager. Reciprocal relations in irreversible processes. II. Phys. Rev., 38:2265–2279, 1931.
10. H. Hemmer, H. Holden and S. Kjelstrup Ratkje, editors. The Collected Works of Lars Onsager. World Scientific, Singapore, 1996.
11. J. Meixner. Zur Thermodynamik der Thermodiffusion. Ann. Physik 5. Folge, 39:333–356, 1941.
12. J. Meixner. Reversible Bewegungen von Flüssigkeiten und Gasen. Ann. Physik 5. Folge, 41:409–425, 1942.
13. J. Meixner. Zur Thermodynamik der irreversibelen Prozesse in Gasen mit chemisch reagirenden, dissozierenden und anregbaren Komponen-ten. Ann. Physik 5. Folge, 43:244–270, 1943.
14. J. Meixner. Zur Thermodynamik der irreversibelen Prozesse. Zeitschr. Phys. Chem. B, 53:235–263, 1943.
15. I. Prigogine. Etude Thermodynamique des Phenomenes Irreversibles. Desoer, Liege, 1947.
16. P. Mitchell. Coupling of phosphorylation to electron and hydrogen transfer by a chemi-osmotic type of mechanism. Nature (London), 191:144–148, 1961.
17. K.G. Denbigh. The Thermodynamics of the Steady State. Methuen, London, 1951.
18. I. Prigogine. Thermodynamics of Irreversible Processes. Charles C. Thomas, Springfield, 1st edition, 1955.
19. S.R. de Groot and P. Mazur. Non-Equilibrium Thermodynamics. North-Holland, Amsterdam, 1962.
20. S.R. de Groot and P. Mazur. Non-Equilibrium Thermodynamics. Dover, London, 1984.
21. R. Haase. Thermodynamics of Irreversible Processes. Addison-Wesley, Reading, MA, 1969.
22. R. Haase. Thermodynamics of Irreversible Processes. Dover, London, 1990.
23. A. Katchalsky and P. Curran. Nonequilibrium Thermodynamics in Biophysics. Harvard University Press, Cambridge, Massachusetts, 1975.
24. S.R. Caplan and A. Essig. Bioenergetics and Linear Non-Equilibrium Thermodynamics — The Steady State. Harvard University Press, Cambridge, Massachusetts, USA, 1983.
25. H.V. Westerhoff and K. van Dam. Thermodynamics and Control of Biological Free-Energy Transduction. Elsevier, Amsterdam, 1987.
26. K. S. Førland, T. Førland and S. Kjelstrup Ratkje. Irreversible Thermodynamics. Theory and Application. Wiley, Chichester, 1st edition, 1988.
27. K. S. Førland, T. Førland, and S. Kjelstrup. Irreversible Thermodynamics. Theory and Application. Tapir, Trondheim, Norway, 3rd edition, 2001.
28. S. Kjelstrup and D. Bedeaux. Elements of Irreversible Thermodynamics for Engineers. Int. Centre of Applied Thermodynamics, Instanbul, Turkey, 1st edition, 2001.
29. S. Kjelstrup, D. Bedeaux and E. Johannessen. Elements of Irreversible Thermodynamics for Engineers. Tapir Akademiske Forlag, Trondheim, Norway, 2nd revised edition, 2006.
30. D.D. Fitts. Nonequilibrium Thermodynamics. McGraw-Hill, New York, 1962.
31. G.D.C. Kuiken. Thermodynamics for Irreversible Processes. Wiley, Chichester, 1994.
32. Y.P. Pao. Application of kinetic theory to problem of evaporation and condensation. Phys. Fluids, 14:306–312, 1971.
33. Y.P. Pao. Temperature and density jumps in kinetic theory of gases and vapors. Phys. Fluids, 14:1340–1346, 1971.
34. J.W. Cipolla Jr., H. Lang and S.K. Loyalka. Kinetic theory of condensation and evaporation. II. J. Chem. Phys., 61:69–77, 1974.
35. C. Cercignani. Strong evaporation of a polyatomic gas. In S. Fisher, editor, Rarified Gas Dynamics, Vol. 74, pages 305–320, New York, 1981. Progr. Astronaut. Aeronaut. AIAA.
36. D. Bedeaux, L.F.J. Hermans and T. Ytrehus. Slow evaporation and condensation. Physica A, 169:263–280, 1990.
37. D. Bedeaux, J.A.M. Smit, L.F.J. Hermans and T. Ytrehus. Slow evaporation and condensation. 2. A dilute mixture. Physica A, 182:388– 418, 1992.
38. D. Bedeaux and S. Kjelstrup. Transfer coefficients for evaporation. Physica A, 270:413–426, 1999.
39. A. Røsjorde, D.W. Fossmo, D. Bedeaux, S. Kjelstrup and B. Hafskjold. Non-equilibrium molecular dynamics simulations of steady-state heat and mass transport in condensation I: Local equilibrium. J. Colloid Interface Sci., 232:178–185, 2000.
40. A. Røsjorde, D. Bedeaux, S. Kjelstrup and B. Hafskjold. Nonequilibrium molecular dynamics simulations of steady-state heat and mass transport in condensation II: Transfer coefficients. J. Colloid Interface Sci., 240:355–364, 2001.
41. V.I. Roldughin and V.M. Zhdanov. Non-equilibrium thermodynamics and kinetic theory of gas mixtures in the presence of interfaces. Advances in Colloid and Interface Science, 98:121–215, 2002.
42. R. Krishna and J.A. Wesselingh. The Maxwell–Stefan approach to mass transfer. Chem. Eng. Sci., 52:861–911, 1997.
43. D. Bedeaux and P. Mazur. Mesoscopic non-equilibrium thermodynamics for quantum systems. Physica A, 298:81–100, 2001.
44. W. Muschik, C. Papenfuss and H. Ehrentraut. A sketch of continuum thermodynamics. J. Non-Newtonian Fluid Mech., 96:255–290, 2001.
45. I. Pagonabarraga and J.M. Rubi. Derivation of the Langmuir adsorption equation from non-equilibrium thermodynamics. Physica A, 188:553–567, 1992.
46. I. Pagonabarraga, A. Perez-Madrid and J.M. Rubi. Fluctuating hydrodynamics approach to chemical reactions. Physica A, 237:205–219, 1997.
47. D. Reguera and J.M. Rubi. Kinetic equations for diffusion in the presence of entropic barriers. Phys. Rev. E, 64:061106 (1–8), 2001.
48. D. Reguera and J.M. Rubi. Nonequilibrium translational-rotational effects in nucleation. J. Chem. Phys., 115:7100–7106, 2001.
49. T. Tsuruta and G. Nagayama. DSMC analysis of interface mass transfer in evaporation/condensation based on molecular dynamics study. Thermal Science & Engineering, 10:9–15, 2002.
50. D. Bedeaux, S. Kjelstrup and J.M. Rubi. Nonequilibrium translational effects in evaporation and condensation. J. Chem. Phys., 119:9163–9170, 2003.
51. J.M. Rubi and S. Kjelstrup. Mesoscopic nonequilibrium thermodynamics gives the same thermodynamic basis to Butler–Volmer and Nernst equations. J. Phys. Chem. B, 107:13471–13477, 2003.
52. S. Kjelstrup, J.M. Rubi and D. Bedeaux. Energy dissipation in slipping biological pumps. Phys. Chem. Chem. Phys., 7:4009–4018, 2005.
53. S. Kjelstrup, J.M. Rubi and D. Bedeaux. Active transport: Kinetic description on thermodynamic grounds. J. Theoretical Biology, 234:7– 12, 2005.
54. J.M. Rubi, D. Bedeaux and S. Kjelstrup. Thermodynamics for small molecule stretching experiments. J. Phys. Chem. B, 110:12733–12737, 2006.
55. V.P. Carey. Statistical Thermodynamics and Microscale Thermo-physics. Cambridge University Press, Cambridge, UK, 1999.
56. D. Kondepudi and I. Prigogine. Modern Thermodynamics. From Heat Engines to Dissipative Structures. Wiley, Chichester, 1998.
57. H.C. Öttinger. Beyond Equilibrium Thermodynamics. Wiley-Interscience, Hoboken, 2005.
58. E.M. Hansen and S. Kjelstrup. Application of nonequilibrium thermodynamics to the electrode surfaces of aluminium electrolysis cells. J. Electrochem. Soc., 143:3440–3447, 1996.
59. G. Bertrand and R. Prud’homme. Possibilitiess of Surface reaction Coupling with Transport Phenomena. Int. J. Quantum Chemistry, 7:159–168, 1977.
60. G. Bertrand. Active Transport by Membranes: An Example of a General Property of Reactive Surfaces. J. Non-Equilib. Thermodyn., 6:165–172, 1981.
61. D. Bedeaux and S. Kjelstrup. Heat, mass and charge transport and chemical reactions at surfaces. Int. J. of Thermodynamics, 8:25–41, 2005.
62. J.W. Gibbs. The Scientific Papers of J.W. Gibbs. Dover, New York, 1961.
63. E.A. Guggenheim. The conceptions of electrical potential difference between two phases and the individual activities of ions. J. Phys. Chem., 33:842–849, 1928.
64. D. Jou, J. Casas-Vázquez and G. Lebon. Extended Irreversible Thermodynamics. Springer-Verlag, Berlin, 2nd edition, 1996.
65. B. Hafskjold and S. Kjelstrup Ratkje. Criteria for local equilibrium in a system with transport of heat and mass. J. Stat. Phys., 78:463–494, 1995.
66. F. Bresme, B. Hafskjold and I. Wold. Nonequilibrium molecular dynamics study of heat conduction in ionic systems. J. Phys. Chem., 100:1879–1888, 1996.
67. J. Xu, S. Kjelstrup, D. Bedeaux, A. Røsjorde and L. Rekvig. Verification of Onsager’s reciprocal relations for evaporation and condensation using non-equilibrium molecular dynamics simulations. J. Colloid Interface Sci., 299:452–463, 2006.
68. J. Xu, S. Kjelstrup and D. Bedeaux. Molecular dynamics simulations of a chemical reaction; conditions for local equilibrium in a temperature gradient. Phys. Chem. Chem. Phys., 8:2017–2027, 2006.
69. R. Taylor and R. Krishna. Multicomponent Mass Transfer. Wiley, New York, 1993.
70. E.L. Cussler. Diffusion, Mass Transfer in Fluid Systems. Cambridge, 2nd edition, 1997.
71. D.G. Miller. Thermodynamics of irreversible processes. The experimental verification of the Onsager reciprocal relations. Chem. Revs., 60:15–37, 1960.
72. ij for isothermal vector transport processes in binary electrolyte systems. J. Phys. Chem., 70:2639–2659, 1966.
73. ij for isothermal vector transport processes in ternary systems. J. Phys. Chem., 71:616–632, 1967.
74. oC. J. Solution Chem., 1:111–130, 1972.
75. 2+KCl revisited. Ber. Bunsenges. Phys. Chem., 96:764–769, 1995.
76. o to determine the change in lysozyme chloride chemical potential with increasing NaCl concentration well into the supersaturation region. J. Am. Chem. Soc., 122:5916–5928, 2000.
77. T.S. Brun and D. Vaula. Correlation of measurements of electroosmo-sis and streaming potentials in ion exchange membranes. Ber. Bunsenges. Physik. Chem., 71:824–829, 1967.
78. B. Flem, S. Kjelstrup and Å. Sterten. Peltier heats in cryolite melts with alumina. Light Metals, pp. 203–209, 1996.
79. B. Flem. Peltier Heats in Cryolite Melts with Alumina. PhD thesis, Department of Physical Chemistry, Norwegian Institute of Technology, Trondheim, 1996.
80. 3 melts. J. Non-Equilib. Thermodyn., 26:125–151, 2001.
81. A.K. Meland, D. Bedeaux and S. Kjelstrup. A Gerischer phase element in the impedance diagram of the polymer electrolyte fuel cell anode. J. Phys. Chem. B, 109:21380–21388, 2005.
82. J. Szargut, D.R. Morris and F.R. Steward. Exergy Analysis of Thermal, Chemical and Metallurgical Processes. Hemisphere, New York, 1988.
83. K.G. Denbigh. The second-law efficiency of chemical processes. Chem. Engng. Sci., 6:1–9, 1956.
84. A. Bejan. Entropy Generation Through Heat and Fluid Flow. Wiley, New York, 1982.
85. A. Bejan. Entropy generation minimization: The new thermodynamics of finite-size devices and finite-time processes. J. Appl. Phys., 79:1191–1218, 1996.
86. S. Kjelstrup Ratkje and J. de Swaan Arons. Denbigh revisited: Reducing lost work in chemical processes. Chem. Eng. Sci., 50:1551–1560, 1995.
87. 2 converter with five heat exchangers. Energy, 29:525–546, 2004.
88. 2 oxidation. Energy, 29:2403–2423, 2004.
89. L. Nummedal, A. Røsjorde, E. Johannessen and S. Kjelstrup. Second law optimization of a tubular steam reformer. Chem. Eng. Proc., 44:429–440, 2005.
90. A. Røsjorde and S. Kjelstrup. The second law optimal state of a diabatic binary tray distillation column. Chem. Eng. Sci., 60:1199– 1210, 2005.
91. E. Johannessen and S. Kjelstrup. A highway in state space for reactors with minimum entropy production. Chem. Eng. Sci, 60:3347–3361, 2006.
92. A. Zvolinschi, E. Johannessen and S. Kjelstrup. The second law optimal operation of a paper drying machine. Chem. Eng. Sci., 61:3653– 3662, 2006.
93. J.S. Rowlinson and B. Widom. Molecular Theory of Capillarity. Oxford University Press, Oxford, 1982.
94. G. Bakker. Kapillarität und Oberflachespannung. In W. Wien, F. Harms and H. Lenz, editors, Handbuch der Experimentalphysik, Vol. 6, Chapter 10. Akad. Verlag, Leipzig, Germany, 1928.
95. E.A. Guggenheim. Thermodynamics. North-Holland, Amsterdam, 7th edition, 1985.
96. R. Defay and I. Prigogine. Surface Tension and Absorption. Long-mans and Green, London, 1966.
97. P.W. Atkins. Physical Chemistry. Oxford University Press, Oxford, 6th edition, 1998.
98. E.M. Blokhuis and D. Bedeaux. Microscopic expressions for the rigidity constants of a simple liquid-vapour interface. J. Chem. Phys., 95:6986–6988, 1991.
99. E.M. Blokhuis and D. Bedeaux. Derivation of microscopic expressions for the rigidity constants of a simple liquid-vapour interface. Physica A, 184:42–70, 1992.
100. E.M. Blokhuis and D. Bedeaux. The pressure tensor of a spherical interface. J. Chem. Phys., 97:3576–3586, 1992.
101. E.M. Blokhuis and D. Bedeaux. Van der Waals theory of curves surfaces. Mol. Phys., 80:705–720, 1993.
102. E.M. Blokhuis and D. Bedeaux. Microscopic theories of curves liquid surfaces. Heterogeneous Chemistry Reviews, 1:55–68, 1994.
103. J. Groenewold and D. Bedeaux. Microscopic integral relations for the curvature dependent surface tension in a two-phase multi-component system. Physica A, 214:356–378, 1995.
104. J.D. van der Waals. The thermodynamic theory of capillarity under the hypothesis of a continuous variation of density (in Dutch). Ver-handel. Konink. Akad. Weten. Amsterdam, 1:56, 1893.
105. J.W. Cahn and J.E. Hillard. Free energy of nonuniform systems. I. Interfacial free energy. J. Chem. Phys., 28:258–267, 1958.
106. D. Bedeaux, E. Johannessen and A. Røsjorde. The non-equilibrium van der Waals square gradient model. I. The model and its numerical solution. Physica A, 330:329–353, 2003.
107. E. Johannessen and D. Bedeaux. The non-equilibrium van der Waals square gradient model. II. Local equilibrium and the Gibbs surface. Physica A, 330:354–372, 2003.
108. E. Johannessen and D. Bedeaux. The non-equilibrium van der Waals square gradient model. III. Heat and mass transfer coefficients. Physica A, 336:252–270, 2004.
109. J.M. Ortiz de Zárate and J.V. Sengers. Hydrodynamic Fluctuations in Fluids and Fluid Mixtures. Elsevier, Amsterdam, 2006.
110. I. Prigogine. Le domain de validité de la thermodynamique des phenomenes irreversibles. Physica, 15:272–283, 1949.
111. F. Bresme. Equilibrium and nonequilibrium molecular simulations of the central force model of water. J. Chem. Phys., 115:7564–7574, 2001.
112. J.-M. Simon, S. Kjelstrup, D. Bedeaux and B. Hafskjold. Thermal flux through a surface of n-octane. A non-equilibrium molecular dynamics study. J. Phys. Chem. B, 108:7186–7195, 2004.
113. B.J.A. Zielinska and D. Bedeaux. A hydrodynamic theory for fluctuations around equilibrium of a liquid-vapour interface. Physica A, 112:265–286, 1982.
114. R.H. Perry and D.W. Green. Perry’s Chemical Engineers Handbook. McGraw-Hill, New York, 7th edition, 1997.
115. J. Ross and P. Mazur. Some deductions from a statistical mechanical theory of chemical kinetics. J. Chem. Phys., 35:19–28, 1961.
116. Y. Demirel. Non-equilibrium Thermodynamics. Transport and Rate Processes in Physical and Biological Systems. Elsevier, Amsterdam, 2002.
117. I. Prigogine. Thermodynamics of Irreversible Processes. Interscience, New York, 2nd edition, 1961.
118. R. S. Schechter. The Variational Method in Engineering. McGraw-Hill, New York, 1967.
119. S. Kjelstrup Ratkje, E. Sauar, E.M. Hansen, K. Lien and B. Hafskjold. Analysis of entropy production rates for design of distillation columns. Ind. Eng. Chem. Res., 34:3001–3007, 1995.
120. B. Andresen, P. Salamon and R. S. Berry. Thermodynamics in finite time. Physics Today, September:62–70, 1984.
121. J.R. Welty, C.E. Wicks and R.E. Wilson. Fundamentals of Momentum, Heat and Mass Transfer. Wiley, Chichester, UK, 3rd edition, 1984.
122. M. J. Moran and H. N. Shapiro. Fundamentals of Engineering Thermodynamics. Wiley, New York, 2nd edition, 1993.
123. ] D. Bedeaux and S. Kjelstrup. Non-equilibrium thermodynamics for surfaces. Lecture notes of NorFA Summer School, Chalmers University of Technology, Gøteborg, Sweden, September 2002.
124. D. Bedeaux and S. Kjelstrup. Irreversible thermodynamics — a tool to describe phase transitions far from global equilibrium. Chem. Eng. Sci., 59:109–118, 2004.
125. D. Bedeaux, S. Kjelstrup, L. Zhu and G.J.M. Koper. Non-equilibrium thermodynamics. A tool to describe heterogeneous catalysis. Phys. Chem. Chem. Phys., 8:5421–5427, 2006.
126. A.M. Albano, D. Bedeaux and J. Vlieger. On the description of interfacial electromagnetic properties using singular fields, charge density and currents at a dividing surface. Physica A, 102:105–119, 1980.
127. D. Ronis, D. Bedeaux and I. Oppenheim. On the derivation of dynamical equations for a system with an interface. I. General theory. Physica A, 90:487–506, 1978.
128. D. Ronis and I. Oppenheim. On the derivation of dynamical equations for a system with an interface. II. The gas-liquid interface. Physica A, 90:487–506, 1983.
129. D. Bedeaux and S. Kjelstrup Ratkje. The dissipated energy of electrode surfaces. Temperature jumps from coupled transport processes. J. Electrochem. Soc., 136:767–779, 1996.
130. S. Kjelstrup and D. Bedeaux. Jumps in electric potential and in temperature at the electrode surfaces of the solid oxide fuel cell. Physica A, 244:213–226, 1997.
131. Y.D. Shikhmurzaev. The moving contact line on a smooth solid surface. Int. J. Multiphase Flow, 19:589–610, 1993.
132. D. Bedeaux. Nonequilibrium thermodynamic description of the three-phase contact line. J. Chem. Phys., 120:3744–3748, 2004.
133. Y.D. Shikhmurzaev. Moving contact lines in liquid/liquid/solid systems. J. Fluid Mech., 334:211–249, 1997.
134. B.D. Coleman and C. Truesdell. On the reciprocal relations of Onsager. J. Chem. Phys., 53:28–31, 1960.
135. J. Wei. Irreversible thermodynamics in engineering. Ind. Eng. Chem., 58:55–60, 1974.
136. I. Prigogine. From being to becoming. Time and complexity in the physical sciences. W.H. Freeman, San Francisco, 1980.
137. ] P. Curie. Oeuvres. (Paris), p. 118, 1908.
138. R. B. Bird, W. E. Stewart and E. N. Lightfoot. Transport Phenomena. Wiley, Chichester, UK, 1960.
139. H.J.V. Tyrell and K.R. Harris. Diffusion in Liquids. A theoretical and experimental study. Butterworths, London, 1984.
140. S. Killie, B. Hafskjold, O. Borgen, S. Kjelstrup Ratkje and E. Hovde. High pressure diffusion measurements by Mach-Zender interferome-try. AIChE J., 37:142–146, 1991.
141. C.A. Angell. Supercooled Water. In F. Franks, editor, Water a comprehensive treatise; Water and aqueous solutions at subzero temperatures, Vol. 7. Plenum Press, New York, USA, 1982.
142. W.H. Furry, R.C. Jones and L. Onsager. On the theory of isotope separation by thermal diffusion. Phys. Rev., 55:1083–1095, 1939.
143. A. Lunden. In A. Lodding and T. Lagerwall, editors, Atomic Transport in Solids and Liquids, Thermomigration of chemical components and isotopes in solid and molten salts, pp. 302–308. Verlag der Zeitschrift für Naturforschung, Tübingen, 1971.
144. B. Rousseau, C. Niete-Draghi and J. Bonet Avalos. The role of the molecular association in the change of the sign of the soret coefficient in aquous mixtures. Europhysics Letters, 67:976–982, 2004.
145. L.J.T.M. Kempers. A comprehensive thermodynamic theory of the soret effect in a multicomponent gas, liquid or solid. J. Chem. Phys., 115:6330–6341, 2001.
146. A.G. Guy. Prediction of thermal diffusion in binary mixtures of non-electrolyte liquids by the use of nonequilibrium thermodynamics. Int. J. Thermophys., 7:563–572, 1986.
147. T. Holt, E. Lindeberg and S. Kjelstrup Ratkje. The effect of gravity and temperature gradients on methane distribution in oil reservoirs. SPE-paper no. 1176, 1983.
148. J.N. Agar. In P. Delahay, editor, Advances in Electrochemistry and Electrochemical Engineering, Vol. 3, Thermogalvanic cells. Interscience, New York, 1963.
149. J.M. Kincaid, X. Li and B. Hafskjold. Nonequilibrium molecular dynamics calculation of the thermal diffusion factor. Fluid Phase Equil., 76:113–121, 1992.
150. L. Zhu and G. Frens. Indications for a surface temperature excess in heterogeneous catalysis. J. Phys. Chem. B, 110:18307–18312, 2006.
151. 2O) reaction. J. Phys. Chem. A, 110:4080–4088, 2006.
152. E.M. Hansen. Modeling of Aluminium Electrolysis Cells Using Non-Equilibrium Thermodynamics. PhD thesis, University of Leiden, Leiden, The Netherlands, 1997.
153. T.C. Harman and J.M. Honig. Thermoelectric and Thermomagnetic Effects and Applications. McGraw-Hill, New York, 1967.
154. V.E. Zinoviev. Thermophysical Properties of Metals at High Temperatures. Metallurgiya, Moscov, 1989.
155. R.W. Cahn, editor. Physical Metallurgy. North-Holland, Amsterdam, 1965.
156. J.O’M. Bockris and D.M. Drazic. Electro-chemical Science. Taylor & Francis, London, 1972.
157. Magnar Ottøy. Mass and Heat Transfer in Ion-Exchange Membranes. PhD thesis, Norwegian University of Science and Technology, Department of Physical Chemistry, Trondheim, Norway, 1996. ISBN 82-7119-933-1, ISSN 0802-3271.
158. J.L. Jackson. Charge neutrality in electrolyte solutions and the liquid junction potential. J. Phys. Chem., 78:2060–2064, 1974.
159. H.S. Harned and B.B. Owen. Physical Chemistry of Electrolytic Solutions. Reinhold, New York, 3rd edition, 1958.
160. G. Fang and C.A. Ward. Temperature measured close to the interface of an evaporating liquid. Phys. Rev. E, 59:417–428, 1999.
161. G. Fang and C.A. Ward. Examination of the statistical rate theory expression for liquid evaporation rates. Phys. Rev. E, 59:441–453, 1999.
162. G. Fang. Rate of liquid evaporation: Statistical rate theory approach. PhD thesis. Graduate Department Mechanical and Industrial Engineering, University of Toronto, Canada, 1999.
163. C.T. Mills and L.F. Phillips. Onsager heat of transport at the aniline-vapour interface. Chem. Phys. Letters, 366:279–283, 2002.
164. R.A. James and L.F. Phillips. Onsager heat of transport for water vapour at the surface of glycerol-water mixtures. Chem. Phys. Letters, 425:49–52, 2006.
165. F. Graner, R.M. Bowley and P. Nozieres. The growth-kinetics of He-3 crystals. J. Low Temperature Physics, 80:113–133, 1990.
166. M. Bond and H. Struchtrup. Mean evaporation and condensation coefficients based on energy dependent condensation probability. Phys. Rev. E, 70:061605 (21 pages), 2004.
167. S. Kjelstrup, T. Tsuruta and D. Bedeaux. The inverted temperature profile across a vapour/liquid surface analyzed by molecular computer simulations. J. Colloid Interface Sci., 256:451–461, 2002.
168. J.W. Cipolla Jr., H. Lang and S.K. Loyalka. Temperature and Partial Pressure Jumps During Evaporation and Condensation of a Multicomponent Mixture. In Beeker and Fiebig, editors, Rarified Gas Dynamics, Vol. II, pages F.4–1 to F.4–10. DFVLR-Press, Portz-Wahn, Germany, 1974.
169. T. Ytrehus. Molecular-flow effects in evaporation and condensation at interfaces. Multiphase Science and Technology, 9:205–327, 1997.
170. J. Ge, S. Kjelstrup, D. Bedeaux, J.M. Simon and B. Rousseau. Coefficients for evaporation of a system with a Lennard-Jones long range spline potential. Phys. Rev. E, in press, 2007.
171. M.-L. Olivier, J.-D. Rollier and S. Kjelstrup. Equilibrium properties and surface transfer coefficients from molecular dynamics simulations of two-component fluids. Colloids and Surfaces A: Physicochem. Eng. Aspects, 210:199–222, 2002.
172. T. Tsuruta and G. Nagayama. Interphase mass transfer rate between liquid and vapor based on molecular dynamics study. In G.J. Hwang, editor, Proceed. 11th Int. Symp. on Transport Phenomena, pp. 527– 532, Hsinchu, Taiwan, 1998. Tsing Hua University.
173. L.F. Phillips. Onsager heat of transport as a consequence of detailed balance at the gas-liquid interface. Chem. Phys. Letters, 396:350–352, 2004.
174. D.R. Lide. CRC Handbook of Chemistry and Physics. CRC Press, New York, 78th edition, 1997.
175. S. Kjelstrup and G. de Koeijer. Transport equations for distillation of ethanol and water from the entropy production rate. Chem. Eng. Science, 58:1147–1161, 2003.
176. P.N. Shankar and M.D. Despande. On the temperature distibution in a liquid-vapour phase change between plane liquid surfaces. Phys. Fluids A, 2:1030–1038, 1990.
177. J.A. Wesselingh and R. Krishna. Mass Transfer in Multicomponent Mixtures. Delft University Press, Delft, 2000.
178. L.J.T.M. Kempers. A thermodynamic theory of the Soret effect in a multicomponent liquid. J. Phys. Chem., 90:6541–6548, 1989.
179. M. Martin. Materials in thermodynamic potential gradients. Pure Appl. Chem., 75:889–903, 2003.
180. I.V. Belova, M.J. Brown and G.E. Murch. Analysis of kinetic demixing in a mixed oxide (A, B)O in an oxygen potential gradient. Acta Materialia, 51:1821–1826, 2003.
181. I.V. Belova, M.J. Brown and G.E. Murch. Analysis of kinetic demixing of (A, B)O oxides in an electric field and an oxygen potential gradient. Solid State Ionics, 167:175–182, 2004.
182. M.J. Brown, I.V. Belova and G.E. Murch. Prediction of a kinetic demixing in a quarternary mixed oxide (A, B, C)O in an oxygen potential gradient. Phil. Mag., 86:1855–1865, 2003.
183. M. Palcut. Kinetic demixing in oxygen conducting oxide exposed to chemical potential gradient. Technical report, Norwegian University of Science and Technology, 2005.
184. S. Kjelstrup, D. Bedeaux and E.M. Hansen. Surface contributions to emf and half cell potentials of non-isothermal cells. Periodica Poly-technica Ser. Chem. Eng., 41:11–27, 1997.
185. V. Sharivker, S. Kjelstrup Ratkje and B. Cleaver. Determination of the entropy of molten polysulfides. Electrochim. Acta, 41:2381–2384, 1996.
186. B. Cleaver and V.S. Sharivker. Asymmetric thermal effects in high-temperature cells with solid electrolytes. J. Electrochem. Soc. 1995, 142:3409–3413, 1995.
187. Q. Xu and S. Kjelstrup. Reversible heat effects in the aluminium electrolysis. Light Metals, pages 539–546, 1998.
188. Y. Ito, H. Kaiya, S. Yoshizawa, S. Kjelstrup Ratkje and T. Førland. Electrode heat balances of electrochemical cells: Application to water electrolysis. J. Electrochem. Soc., 131:2504–2509, 1984.
189. S. Kjelstrup Ratkje, H. Rajabu and T. Førland. Transference coefficients and transference numbers in molten salt mixtures relevant for the aluminium electrolysis. Electrochim. Acta, 38:415–423, 1993.
190. E. M. Hansen, E. Egner and S. Kjelstrup. Peltier effects in electrode carbon. Metall. and Mater. Trans. B, 29:69–76, 1998.
191. T. Ikeshoji and S. Kjelstrup Ratkje. Thermoelectric power of a cell with complex formation. J. Electrochem. Soc., 133:1107–1113, 1986.
192. S. Kjelstrup, E. Olsen and J. Qian. The peltier heating of aluminium, oxygen and carbon — carbon dioxide electrodes in an electrolyte of sodium and aluminium fluorides saturated with alumina. Electrochim. Acta, 46:1141–1150, 2001.
193. J.N. Agar and W.G. Breck. Thermal diffusion in non-isothermal cells. 1. Theoretical relations and experiments of solutions of thallous salts. Trans. Faraday Soc., 53:167–178, 1956.
194. V. Blinov, S. Kjelstrup, D. Bedeaux and V.S. Sharivker. The role of the transported entropy of lead in partially thermostatted and adiabatic cells. J. Electrochem. Soc., 148:364–371, 2001.
195. S. Kjelstrup Ratkje, V.S. Sharivker and B. Cleaver. Reversible heat effects in high temperature batteries: Transported entropy and Thomson coefficients in cells with β-alumina. Electrochim. Acta, 39:2659– 2664, 1994.
196. S. Kjelstrup Ratkje, T. Ikeshoji and K. Syverud. Heat and internal energy changes at electrodes and junctions in thermocells. J. Electrochem. Soc., 137:542–560, 1990.
197. A. Grimstvedt, S. Kjelstrup Ratkje and T. Førland. Theory of thermocells. Transported entropies and heat of transfer in sulfate mixtures. J. Electrochem. Soc., 141:1236–1241, 1994.
198. V. Sharivker and S. Kjelstrup Ratkje. The transported entropies of ions in solid state fluorides and beta-alumina. Light Metals, pp. 197– 202, 1996.
199. 3 as a function of temperature and composition. Ber. Bunsenges. Phys. Chem., 81:375–380, 1977.
200. J. Richter and U. Prüser. Untersuchungen des stationären Zustandes der Thermodiffusion in Thermoketten mit Nitratschmelzen. Ber. Bunsenges. Phys. Chem., 81:508–514, 1977.
201. S. Kjelstrup Ratkje and S. Møller-Holst. Exergy efficiency and local heat production in solid oxide fuel cells. Electrochim. Acta, 38:447– 453, 1993.
202. S. Kjelstrup Ratkje and K.S. Førland. The transported entropy of oxygen ion in yttria stabilized zirconia. J. Electrochem. Soc., 138:2374– 2376, 1991.
203. S. Kjelstrup Ratkje and Y. Tomii. The transported entropy of oxygen ion in zirconia with 3-12 mole percent yttria. J. Electrochem. Soc., 140:59–66, 1993.
204. Q. Xu, S. Kjelstrup and B. Hafskjold. Estimation of single electrode heats. Electrochim. Acta, pp. 2597–2603, 1998.
205. 4 studied by thermoelectric power measurements. J. Electrochem. Soc., 145:3313–3319, 1998.
206. W.H.A. Peelen, M. Olivry, S.F. Au, J.D. Fehribach, K. Hemmes. Electrochemical oxidation of carbon in a 62/38 mol Li/K carbonate melt. J. Appl. Electrochemistry, 30:1389–1395, 2000.
207. S. Kjelstrup Ratkje. Local heat during aluminium electrolysis. Electrochim. Acta, 36:661–665, 1991.
208. S. Kjelstrup, J. Qian and G. M. Haarberg. The Peltier heating of the aluminium cathode in contact with cryolite-alumina melts. Electrochim. Acta, 45:2707–2717, 2000.
209. K. Hemmes, G.P.J. Dijkema and H. van der Kooi. From chemical processes to electrochemical processes: The key to minimal entropy production. Russian J. Electrochemistry, 40:1100–1104, 2004.
210. 2 and acceleration of reduction by Si addition to the pellet. J. Electrochem. Soc., 152:D232– D237, 2005.
211. 4 evolution. Electrochemistry, pp. 692–699, 2005.
212. A. Kotyk and K. Janacek. Biomembranes. Plenum Press, New York, 1977.
213. T. Førland and S. Østvold. The Donnan potential. I. Acta Chem. Scand. A, 28:607–611, 1974.
214. E.E. Johnsen, S. Kjelstrup Ratkje, T. Førland and K.S. Førland. The liquid junction contribution to emf. Zeitschr. Phys. Chem. Neue Folge, 168:101–114, 1990.
215. J. Breer, S. Kjelstrup Ratkje and G.F. Olsen. Control of liquid junctions: The system HCl-KCl. Zeitschr. Phys. Chemie, 174:179–198, 1991.
216. K. Syverud and S.Kjelstrup Ratkje. An operationally defined method for ion selective electrode studies: Potassium selectivity of polyvinyl chloride membranes. Zeitschr. Phys. Chem., 185:245–261, 1994.
217. M. Planck. Über die Erregung von Electricitä t und Wä rme in Elec-trolyten. Ann. Physik u. Chemie. Neue Folge, 39:161–186, 1890.
218. M. Planck. Über die Potentialdifferenz zwischen zwei verdünnten Lö-sungen binärer Electrolyte. Ann. Physik und Chemie. Neue Folge, 40:561–576, 1890.
219. P. Henderson. Zur Thermodynamik der Flüssigkeitsketten. Z. f. Physik. Chemie, 59:118–128, 1907.
220. P. Henderson. Zur Thermodynamik der Flüssigkeitsketten. Z. f. Physik. Chemie, 63:325–345, 1908.
221. A. J. Bard and L. R. Faulkner. Electrochemical Methods. Wiley, New York, 1980.
222. E. Lindeberg. Elektromotorisk spenning som funksjon av konsen-trasjonsprofilene i væskekonstaktene mellom vanige elektrolytter. PhD thesis, Division of Physical Chemistry, University of Trondheim, NTH, Norway, 1981.
223. D.A. MacInnes. The Principles of Electrochemistry. Reinhold, New York, 1939.
224. C.Y. Chan and K.H. Khoo. Re-determination of mean ionic activity coefficients for the system HCl+KCl+water at 298.15 K and correlations between Harned and Pitzer equations. J. Chem. Soc. Faraday, 6:1371–1379, 1979.
225. K. Eine, S. Kjelstrup, K. Nagy and K. Syverud. Towards a solid state reference electrode. Sensors and Actuators B, 44:381–388, 1997.
226. D. Bedeaux and S. Kjelstrup. Local properties of a formation cell as described by non-equilibrium thermodynamics. J. Non-Equilib. Thermodyn., 25:161–178, 2000.
227. T. Førland and S. Kjelstrup Ratkje. Entropy production by heat, mass, charge transfer and specific chemical reactions. Electrochim. Acta, 25:157–163, 1980.
228. K.S. Førland, T. Førland, A. Makange and S. Kjelstrup Ratkje. The coupling between transport of electric charge and chemical reaction. J. Electrochem. Soc., 130:2376–2380, 1983.
229. F. Helferrich. Ion-Exchange Membranes. McGraw-Hill, New York, 1962.
230. N. Laksminarayanaiah. Transport Phenomena in Membranes. Academic Press, New York, 1969.
231. S. Loeb. Production of energy from concentrated brine by pressure-retarded osmosis. J. Mem. Sci., 1:49–63, 1976.
232. H.T. Cath, A.E. Childress and M. Elimelech. Forward osmosis: Principles, applications and recent developments. J. Mem. Sci., 281:70–87, 2006.
233. A. Seppälä and M.J. Lampinen. Thermodynamic optimizing of pressure-retarded osmosis power generation systems. J. Membrane Sci., 161:115–138, 1999.
234. T. Holt and S. Kjelstrup. Generell fysikk for universiteter og høgskoler, Vol. 2. Varmelære og elektromagnetisme, chapter Kraftpro-duksjon med saltkraftverk, pp. 157–158. Universitetsforlaget, Oslo, Norway, 2001.
235. T. Holt, S. Kjelstrup Ratkje and T. Førland. Cation exchange membranes as solid solutions. J. Membrane Sci., 25:133–151, 1985.
236. +. Zeitschr. Phys. Chem. Neue Folge, 155:211–222, 1987.
237. K.S. Førland, T. Okada and S. Kjelstrup Ratkje. Molten Salt Regular Mixture Theory Applied to Ion Exchange Membranes. J. Electrochem. Soc., 140:634–637, 1993.
238. G. Scatchard. Ion exchange membranes. J. Am. Chem. Soc., 75:2883– 2887, 1953.
239. T. Holt, S. Kjelstrup Ratkje, T. Førland and T. Østvold. Hydrostatic pressure gradients in ion exchange membranes during mass and charge transfer. J. Membrane Sci., 9:69–82, 1981.
240. L. Nummedal. Thermal Osmosis in a Cation Exchange Membrane, MSc Thesis no. 49. University of Trondheim, Norway, 1997.
241. T. Suzuki, K. Iwano, R. Kiyono and M. Tasaka. Thermoosmosis and transported entropy of water across hydrocarbonsulfonic acid-type cation exchange membranes. Bull. Chem. Soc. Jpn., 68:493–501, 1995.
242. T. Førland and S. Kjelstrup Ratkje. Irreversible thermodynamic treatment of frost heave. Engineering Geol., 18:225–229, 1981.
243. I. Nygård and S. Kjelstrup Ratkje. Temperature gradient melt transport and chemical reaction in used carbon cathodes. Light Metals, pp. 457–461, 1994.
244. S. Kjelstrup Ratkje and B. Hafskjold. Entropy and entropy generation, chapter Coupled Transport of Heat and Mass. Theory and Appplications, pp. 197–219. Klüver, 1996.
245. S. Kjelstrup and A. Røsjorde. Local and total entropy production and heat and water fluxes in a one-dimensional polymer electrolyte fuel cell. J. Phys. Chem. B, 109:9020–9033, 2005.
246. P.J.S. Vie. Characterization and Optimization of the Polymer Elec-trolyte Fuel Cell. PhD thesis, Norwegian University of Science and Technology, Department of Chemistry, Trondheim, Norway, 2002. ISBN 82-471-5431-5, ISSN 0809-103X.
247. P.J.S. Vie and S. Kjelstrup. Thermal conductivities from temperature profiles in the polymer electrolyte fuel cell. Electrochim. Acta, 49:1069–1077, 2004.
248. G. Aylward and T. Findlay. SI Chemical Data. Wiley, New York, 3rd edition, 1994.
249. S. Kjelstrup, P.J.S. Vie and D. Bedeaux. in T. S. Sørensen, editor, Surface Chemistry and Electrochemistry of Membranes, chapter Irreversible thermodynamics of membrane surface transport with application to polymer fuel cells, pp. 483–510. Marcel Dekker, New York, 1999.
250. S. Kjelstrup Ratkje, T. Holt and M.G. Skrede. Cation membrane transport: Evidence for local validity of Nernst-Planck equations. Ber. Bunsenges. Physik. Chem., 92:825–832, 1988.
251. T.E. Springer, T.A. Zawodzinski Jr. and S. Gottesfeld. Polymer electrolyte fuel cell model. J. Electrochem. Soc., 138:2334–2342, 1991.
252. S. Kjelstrup Ratkje, M. Ottøy, R. Halseid and M. Strømgård. Thermoelectric power relevant for the solid-polymer-electrolyte fuel cell. J. Membrane Sci., 107:219–228, 1995.
253. T. Førland, K.S. Førland and S. Kjelstrup Ratkje. The coefficients for isothermal transport. I. Cation exchange membrane and electrodes reversible to a common anion. Acta Chem. Scand., A31:47–55, 1973.
254. S. Kjelstrup Ratkje. The Coefficients for Isothermal Transport II. Cation Exchange Membrane and Electrodes Reversible to one of the Cations. Acta Chem. Scand., A31:797–798, 1977.
255. S. Kjelstrup Ratkje. The coefficients for isothermal transport II. Cation exchange membrane and electrodes reversible to one of the cations. J. Non-Equilib. Thermodyn., 4:75–92, 1979.
256. T. Holt. Transport and equilibrium properties of a cation exchange membrane. PhD thesis, Institute of Physical Chemistry, Norwegian Institute of Technology, University of Trondheim, 1983.
257. M. Ottøy, T. Førland, S. Kjelstrup Ratkje and S. Møller-Holst. Membrane transference numbers from a new emf method. J. Membrane Sci., 74:1–8, 1992.
258. T. Okada, S. Kjelstrup Ratkje and H. Hanche-Olsen. Water transport in cation-exchange membranes. J. Membrane Sci., 66:179–192, 1992.
259. S. Kjelstrup, M. Ottøy and T. Okada. In T. S. Sørensen, editor, Surface Chemistry and Electrochemistry of Membranes, Water, ion and entropy transport in ion-exchange membranes, pp. 455–481. Marcel Dekker, New York, 1999.
260. T. Ojala and K. Kontturi. The transport numbers and mobilities of ions in the sodium/lithium and sodium/rubidium systems in a cation-exchange membrane. Acta Chem. Scand., 42:698–701, 1988.
261. T. Ojala and K. Kontturi. Transport properties of a cation-exchange membrane with sodium and potassium as counterions. Acta Chem. Scand., 43:340–344, 1989.
262. T.F. Fuller and J. Newman. Experimental determination of the transport number of water in Nafion 117 membrane. J. Electrochem. Soc., 139:1332–1337, 1992.
263. S. Kjelstrup Ratkje, E. Sauar, E.M. Hansen, K.M. Lien and B. Hafskjold. Analysis of entropy production rates for design of distillation columns. Ind. Eng. Chem. Res., 34:3001–3007, 1995.
264. 2. J. Membrane Sci., 111:159–167, 1996.
265. I. Wold. Nonequilibrium molecular dynamics simulations of porous media. PhD thesis, Division of Physical Chemistry, Norwegian University of Science and Technology, Trondheim, Norway, 1997.
266. M. Sluyters-Rehbach and J.H. Sluyters. In A.J. Bard, ed., Electroan-alytical Chemistry, Vol. 4, p. 1. Marcel Dekker, New York, 1970.
267. J.R. Macdonald. Impedance Spectroscopy. Emphasizing Solid Materials and Systems. Wiley, New York, 1987.
268. A.K. Meland, D. Bedeaux and S. Kjelstrup. Rate-limiting proton hydration in the anode of the polymer electrolyte fuel cell. J. Membrane Sci, 282:96–108, 2006.
269. D. Bedeaux and S. Kjelstrup. Impedance spectroscopy of surfaces described by irreversible thermodynamics. J. Non-Equilib. Thermodyn., 24:80–96, 1999.
270. S. Kjelstrup, P. Pugazhendi and D. Bedeaux. Impedance of the hydrogen polymer fuel cell electrode. Theory and experiments. Z. Phys. Chemie, 214:895–916, 2000.
271. H. Nakajima, T. Nohira, Y. Ito, S. Kjelstrup and D. Bedeaux. The surface adsorption of hydride ions and hydrogen atoms on Zn studied by electrochemical impedance spectroscopy with a non-equilibrium thermodynamic formulation. J. Non-Equilib. Thermodyn., 31:231– 255, 2006.
272. V. Paganin, C. Oliveira, E. Ticianelli, T.E. Springer and E. Gonzalez. Modelistic interpretation of the impedance response of a polymer electrolyte fuel cell. Electrochim. Acta, 43:3761–3766, 1998.
273. T. Freire and E. Gonzalez. Effect of membrane characteristics and humidification condistions on the impedance response of polymer electrolyte fuel cells. J. Electroanal. Chem., 503:57–68, 2001.
274. M. Brown, S. Primdahl and M. Mogensen. Structure/performance relations for Ni/yttria-stabilized zirconia anodes for solid oxide fuel cells. J. Electrochem. Soc., 147:475–485, 2000.
275. D.A. McQuarrie. Statistical Mechanics. Harper and Row, New York, 1976.
276. D.J. Evans and G.P. Morriss. Statistical Mechanics of Nonequilibrium Liquids. Academic Press, London, 1990.
277. B. Hafskjold. Thermal Nonequilibrium Phenomena in Fluid Mixtures, W. Kohler and S. Wiegand, editors, Computer Simulations of Thermal Diffusion in Binary Fluid Mixtures. Lecture Notes in Physics. Springer, Berlin, 2002.
278. B. Hafskjold, T. Ikeshoji and S. Kjelstrup Ratkje. On the molecular mechanism of thermal diffusion in liquids. Mol. Phys., 80:1389–1412, 1993.
279. T. Ikeshoji and B. Hafskjold. Non-equilibrium molecular dynamics calculation of heat conduction in liquid and through liquid-gas interface. Mol. Phys., 81:251–261, 1994.
280. B. Hafskjold and T. Ikeshoji. Partial specific quantities computed by nonequilibrium molecular dynamics. Fluid Phase Equilibria, 104:173– 184, 1995.
281. S. Kjelstrup and B. Hafskjold. Nonequilibrium molecular dynamics simulations of steady-state heat and mass transport in distillation. Ind. Eng. Chem. Res., 35:4203–4213, 1996.
282. B. Hafskjold, I. Fujihara and T. Ikeshoji. A comparison of nonequilibrium molecular dynamics and NPT Monte Carlo methods for mixing properties and partial molar quantities. Mol. Phys., 90:999– 1006, 1997.
283. A.H. Fuchs J.-M. Simon, D.K. Dysthe and B. Rousseau. Thermal diffusion in alkane binary mixtures: A molecular dynamics approach. Fluid Phase Equil., 150/151:151–159, 1998.
284. A. Tenenbaum, G. Ciccotti and R. Gallico. Stationary nonequilibrium states by molecular dynamics. Fourier’s law. Phys. Rev. A, 25:2778– 2787, 1982.
285. A. Baranyai. Heat flow studies of large temperature gradients by molecular dynamics simulation. Phys. Rev. E, 54:6906–6911, 1996.
286. F. Müller-Plathe and D. Reith. Cause and effect reversed in nonequilibrium molecular dynamics: An easy route to transport coefficients. Comput. Theor. Polym. Sci., pages 203–209, 1999.
287. D. Reith and F. Müller-Plathe. On the nature of thermal diffusion in binary Lennard-Jones liquids. J. Chem. Phys., 112:2436–2443, 2000.
288. R.F. Cracknell, D. Nicholson and N. Quirke. A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit pores. 2. Mixtures of two centre ethane with methane. Mol. Simulation, 13:161–175, 1994.
289. J.-M. Simon, S. Kjelstrup, D. Bedeaux, J. Xu and E. Johannessen. Interface film transfer coefficients. Verification of integral relations by nonequilibrium molecular dynamics simulations. J. Phys. Chem. B, 110:18528–18536, 2006.
290. D.K. Dysthe, A.H. Fuchs, B. Rousseau and M. Durandeau. Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems. J. Chem. Phys., 110:4060–4067, 1999.
291. P. Sindzingre, C. Massobrio, G. Ciccotti and D. Frenkel. Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics. Chem. Phys., 129:213–224, 1989.
292. A.P. Thompson, D.M. Ford and G.S. Heffelfinger. Molecular simulation of gradient-driven diffusion. J. Chem. Phys., 109:6406–6414, 1998.
293. A.P. Thompson and G.S. Heffelfinger. Molecular simulation of gradient-driven diffusion of large molecules using constant pressure. J. Chem. Phys., 110:10693–10705, 1999.
294. B.D. Todd, D.J. Evans and P.J. Daivis. Pressure tensor for inhomogeneous fluid. Phys. Rev. E, 52:1627–1638, 1995.
295. J.H. Irving and J.G. Kirkwood. The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics. J. Chem. Phys., 18:817–829, 1950.
296. G.V. Paolini and G. Ciccotti. Cross thermotransport in liquid mixtures by nonequilibrium molecular dynamics. Phys. Rev. A, 34:1355– 1362, 1987.
297. E.M. Blokhuis, D. Bedeaux, C.D. Holcomb and J.A. Zollweg. Tail corrections to the surface tension of a Lennard-Jones liquid-vapor interface. Mol. Phys., 85:665–669, 1995.
298. G.V. Paolini, G. Ciccotti and C. Massobrio. Nonlinear thermal response of a Lennard-Jones fluid near the triple point. Phys. Rev. A, 34:1355–1362, 1986.
299. B.D. Todd, P.J. Daivis and D.J. Evans. Heat flux vector in highly inhomogeneous nonequilibrium fluids. Phys. Rev. E, 51:4362–4365, 1995.
300. B.D. Todd and D.J. Evans. Temperature profile for poiseuille flow. Phys. Rev. E, 55:2800–2807, 1997.
301. L.D. Landau and E.M. Lifshitz. Statistical Physics (Course of Theoretical Physics), Vol. 5. Pergamon Press, Oxford, 1980.
302. H.B. Keller. Numerical Methods for Two-Point Boundary-value Problems. Blaisdell Publishing Company, London, 1968.
303. A.E. van Giessen, E.M. Blokhuis and D.J. Bukman. Mean field curvature corrections to the surface tension. J. Chem. Phys., 108:1148– 1156, 1998.
304. A.E. van Giessen and E.M. Blokhuis. Determination of curvature corrections to the surface tension of a liquid-vapor interface through molecular dynamics simulations. J. Chem. Phys., 116:302–310, 2002.
305. A.M. Albano, D. Bedeaux and J. Vlieger. On the description of interfacial properties using singular densities and currents at a dividing surface. Physica A, 99:293–304, 1979.
306. C. A. Ward and D. Stanga. Interfacial conditions during evaporation or condensation of water. Phys. Rev. E, 64:051509 (9 pp.), 2001.