Molecular dynamics simulation data of self-diffusion coefficient for Lennard-Jones chain fluids

Fluid Phase Equilibria

Volumn 221, Issue 1-2, 2004, Pages 25-33

  Reis, R A ^a   Silva, F C ^a   Nobrega, R ^a   Oliveira, J Vladimir ^b   Tavares, F W ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b DEPARTMENT OF FOOD ENGINEERING   (Brazil)

Author keywords

Chapman Enskog model; Lennard Jones chain; Lennard Jones potential; Molecular dynamics simulation; Self diffusion coefficient

Indexed keywords

COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); DIFFUSION IN LIQUIDS; MOLECULAR DYNAMICS; THERMAL EFFECTS;

MOLECULAR DYNAMICS (MD) SIMULATIONS; POLYATOMIC FLUIDS;

PHASE EQUILIBRIA;

MOLECULAR DIFFUSION; THERMODYNAMICS;

ARTICLE; CALCULATION; CORRELATION COEFFICIENT; DATA BASE; DENSITY; DIFFUSION; LIQUID; MOLECULAR DYNAMICS; REDUCTION; SIMULATION; TEMPERATURE DEPENDENCE;

EID: 3242708901     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2004.04.007     Document Type: Article

References (33)

1. Yu Y.-X., Gao G.-H. Fluid Phase Equilibria. 166:1999;111-124
2. Dariva C., Coelho L.A.F., Oliveira J.V. Braz. J. Chem. Eng. 16(3):1999;213-227
3. Rocha S.R.P., Oliveira J.V., Rajagopal K. Chem. Eng. Sci. 52(7):1997;1097-1109
4. T.M. Reed, K.E. Gubbins, Applied Statistical Mechanics (Thermodynamic and Transport Properties of Fluids), Butterworth-Heinemann, Boston, 1973.
5. Liu H., Silva C.M., Macedo E.A. Chem. Eng. Sci. 53(13):1998;2403-2422
6. Alder B.J., Gass D.M., Wainwright T.E. J. Chem. Phys. 53(10):1970;3813-3826
7. Levesque D., Verlet L. Mol. Phys. 61:1987;143-159
8. Erpenbeck J.J. Phys. Rev. A. 35(1):1987;218-232
9. Rowley R.I., Painter M.M. Int. J. Thermophys. 18(5):1997;1109-1121
10. Coelho L.A.F., Oliveira J.V., Tavares F.W. Braz. J. Chem. Eng. 16(3):1999;319-328
11. Ben-Amotz D., Herschbach D.R. J. Phys. Chem. 94:1990;1038-1047
12. Smith S.W., Hall C.K., Freeman B.D. J. Chem. Phys. 102(2):1995;1057-1073
13. Yu Y.-X., Gao G.-H. Int. J. Thermophys. 21(1):2000;57-70
14. Zhu Y., Lu X., Zhou J., Wang Y., Shi J. Fluid Phase Equilibria. 194-197:2002;1141-1159
15. Ruckenstein E., Liu H. Ind. Eng. Chem. Res. 36:1997;3927-3936
16. D. Frenkel, B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, Academic, CA, San Diego, 2002.
17. Johnson J.K., Müller E.A., Gubbins K.E. J. Phys. Chem. 98:1994;6413-6419
18. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1990.
19. F. Müller-Plathe, Permeation of Polymers - A Computational Approach, http://www.mpip-mainz.mpg.de/∼mplathe/fmp.html, 1993.
20. Straub J.E. Mol. Phys. 76(2):1992;373-385
21. L.A.F. Coelho, Difusividades em Fluidos Densos: Dados Experimentais, Modelagem e Dinâmica, D.Sc. Thesis, Federal University of Rio de Janeiro, Rio de Janeiro, 1999.
22. Escobedo F.A., De Pablo J.J. Mol. Phys. 87(2):1996;347-366
23. Vega C., Blas F.J., Galindo A. J. Chem. Phys. 116(17):2002;7645-7655
24. Dymond J.H. Chem. Soc. Rev. 14:1985;317-356
25. Speedy R.J. Mol. Phys. 62(2):1987;509-515
26. Heyes D.M. Phys. Rev. B. 37(10):1988;5677-5696
27. Erkey C., Rodden J.B., Akgerman A. Can. J. Chem. Eng. 68:1990;661-665
28. Erpenbeck J.J., Wood W.W. Phys. Rev. A. 43:1991;4254-4261
29. Harris K.R. Mol. Phys. 77(6):1992;1153-1167
30. Amoros J. Mol. Phys. 83:1994;771
31. S. Chapman, T.G. Cowling, The Mathematical Theory of Non-Uniform Gases, Cambridge U.P., Cambridge, England, 1970.
32. Carnahan N.F., Starling K.E. J. Chem. Phys. 51:1969;635-636
33. Anderson T.F., Abrams D.S., Greens E.A. AIChE J. 24:1978;20-29