Thermal diffusion in alkane binary mixtures: A molecular dynamics approach

Fluid Phase Equilibria

Volumn 150, Issue 151, 1998, Pages 151-159

  Simon, J M ^a   Dysthe, D K ^a   Fuchs, A H ^a   Rousseau, B ^a  

^a UNIVERSITÉ PARIS SUD   (France)

Author keywords

Alkane mixture; Molecular simulation; Non equilibrium molecular dynamics; Soret effect; Thermal conductivity; Thermal diffusion factor

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; METHANE; MOLECULAR DYNAMICS; THERMAL CONDUCTIVITY OF LIQUIDS; THERMAL DIFFUSION IN LIQUIDS;

DECANE; TOXVAERD ANISOTROPIC UNITED ATOM INTERACTION SCHEME;

BINARY MIXTURES;

BINARY MIXTURE; MIXTURE; MOLECULAR DIFFUSION; THERMAL DIFFUSION;

EID: 0032173207     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0378-3812(98)00286-6     Document Type: Article

References (35)

1. B. Faissat, K. Knudsen, E.H. Stenby, F. Montel, Fluid Phase Equilibria 100 (1994) 209-222.
2. J.M. Kincaid, B. Hafskjold, Mol. Phys. 86 (1994) 1099-1114.
3. H.J.V. Tyrrell, Diffusion and Heat Flow in Liquids, Butterworths, 1961.
4. W.A. Wakeham, A. Nagashima, J.V. Sengers, Measurement of the Transport Properties of Fluids, Blackwell Scientific Publications, 1991.
5. W. Köhler, B. Müller, J. Chem. Phys. 103 (1995) 4367-4370.
6. K.J. Zhang, M.E. Briggs, R.W. Gammon, J.V. Sengers, J. Chem. Phys. 104 (1996) 6881-6892.
7. O. Ecenarro, J.A. Madariaga, C.M. Santamaria, M.M. Bou-Ali, J. Valencia, Entropie 198 (1996) 71-76.
8. P. Kolodner, H. Williams, C. Moe, J. Chem. Phys. 88 (1988) 6512-6525.
9. D.L. Jolly, R.J. Bearman, Mol. Phys. 41 (1980) 137-147.
10. M. Schoen, C. Hoheisel, Mol. Phys. 52 (1984) 33-56.
11. D. MacGowan, D.J. Evans, Phys. Rev. A 34 (1986) 2133-2142.
12. G.V. Paolini, G. Ciccotti, Phys. Rev. A 35 (1987) 5156-5166.
13. J.M. Kincaid, X. Li, B. Hafskjold, Fluid Phase Equilibria 76 (1992) 113-121.
14. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, University Press, Oxford, 1987.
15. D.J. Evans, G.P. Morriss, Statistical Mechanics of Nonequilibrium Liquids, Academic Press, 1990.
16. J.M. Stoker, R.L. Rowley, J. Chem. Phys. 91 (1989) 3670-3676.
17. R.C. Reid, J.M. Prausnitz, B.E. Poling, The Properties of Gases and Liquids, Mc-Graw Hill, New York, 1988.
18. P.T. Daivis, D.J. Evans, Mol. Phys. 81 (1994) 1289-1295.
19. R. Vogelsang, C. Hoheisel, P. Sindzingre, G. Ciccotti, D. Frenkel, J. Phys.: Condens. Matter 1 (1989) 957-963.
20. P. Sindzingre, G. Ciccotti, C. Massobrio, D. Frenkel, Chem. Phys. Lett. 136 (1987) 35-41.
21. B. Hafskjold, T. Ikeshoji, S.K. Ratjke, Mol. Phys. 80 (1993) 1389-1412.
22. S. Toxvaerd, J. Chem. Phys. 93 (1990) 4290-4295.
23. P. Padilla, S. Toxvaerd, J. Chem. Phys. 94 (1991) 5650-5654.
24. D. Möller, J. Oprzynski, A. Müller, J. Fisher, Mol. Phys. 75 (1992) 363-378.
25. H.C. Andersen, J. Comput. Phys. 52 (1983) 24.
26. B.H. Sage, V.M. Berry, Phase Equilibria in Hydrocarbon Systems, Behaviour of the Methane-w-decane System, API Washington, 1971.
27. B. Knapstad, P.A. Skjolsvik, H.A. Øye, Ber. Bunsenges. Phys. Chem. 94 (1990) 1156-1165.
28. D.K. Dysthe, B. Hafskjold, Int. J. Thermophys. 16 (1995) 1213-1224.
29. M. Helbæk, B. Hafskjold, D.K. Dysthe, G.H. Sørland, J. Chem. Eng. Data. 41 (1996) 598-603.
30. E. Lindeberg, Personal communication.
31. S.R. de Groot, P. Mazur. Non-equilibrium Thermodynamics, North-Holland Publishing, Amsterdam, 1969.
32. M.J. Assael, J.H. Dymond, M. Papadaki, M.P. Patterson, Int. J. Thermophys. 13 (1992) 659-670.
33. H. Kramers, J.J. Broeder, Anal. Chim. Acta 2 (1948) 687.
34. R. Haase, Thermodynamics of Irreversible Processes, Addison-Wesley, 1969.
35. E.L. Dougherty, H.G. Drickamer, J. Phys. Chem. 59 (1955) 443-449.