Combined diffusive and viscous transport of methane in a carbon slit pore

Molecular Simulation

Volumn 25, Issue 3-4, 2000, Pages 209-227

  Travis, Karl P ^a,b   Gubbins, Keith E ^a  

^a North Carolina State University   (United States)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Non equilibrium molecular dynamics; Poiseuille flow; Transport diffusion; Viscosity

Indexed keywords

EID: 0001195065     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020008044126     Document Type: Article

References (22)

1. Heffelfinger, G. and van Swol, F. (1994). "Diffusion in Lennard-Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV-GCMD)", J. Chem. Phys., 100, 7548.
2. MacElroy, J. M. D. (1994). "Nonequilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes", J. Chem. Phys., 101, 5274.
3. Cracknell, R. F., Nicholson, D. and Quirke, N. (1995). "Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore", Phys. Rev. Lett., 74, 2463.
4. Pohl, P. I., Heffelfinger, G. S. and Smith, D. M. (1996). "Molecular dynamics computer simulation of gas permeation in thin silicalite membranes", Mol. Phys., 89, 1725.
5. Ford, D. M. and Heffelfinger, G. S. (1998). "Massively parallel dual control volume grand canonical molecular dynamics with LADERA II. Gradient driven diffusion through polymers", Mol. Phys., 94 , 673.
6. MacElroy, J. M. D., Friedman, S. P. and Seaton, N. A. (1998). "On the origin of transport resistances within carbon molecular sieves", Chem. Eng. Sci., submitted.
7. Travis, K. P. and Gubbins, K. E. (1998). "Transport diffusion of a mixture of oxygen and nitrogen in a carbon slit via dual control volume grand canonical molecular dynamics (DCV GCMD)." In: Meunier, F., Ed., "Fundamentals of Adsorption", Volume 6, Elsevier, Paris.
8. Travis, K. P. and Gubbins, K. E. (1999). "Transport diffusion of oxygen-nitrogen mixtures in graphite pores: a non-equilibrium molecular dynamics (NEMD) study", Langmuir, 15, 6050.
9. Nicholson, D. (1998). "Simulation studies of methane transport in model graphite micropores", Carbon, 36, 1511.
10. Mason, E. A. and Viehland, L. A. (1978). "Statistical mechanical theory of membrane transport for multicomponent systems: passive transport through open membranes", J. Chem. Phys., 68, 3562.
11. Mason, E. A. and Malinauskas, A. P. (1983). "Gas transport in porous media: the dusty gas model." Elsevier, Amsterdam.
12. Nicholson, D. (1997). "The transport of adsorbate mixtures in porous materials: basic equations for pores with simple geometry", J. Membrane Sci., 129, 209.
13. Travis, K. P., Todd, B. D. and Evans, D. J. (1997). "Departure from Navier-Stokes hydrodynamics in confined liquids", Phys. Rev. E, 55, 4288.
14. Todd, B. D., Evans, D. J. and Daivis, P. J. (1995). "Pressure tensor for inhomogeneous fluids", Phys. Rev. E, 52, 1627.
15. Steele, W. A. (1974). "The interaction of gases with solid surfaces", Pergamon, Oxford.
16. Nose, S. (1984). "A unified formulation of the constant temperature molecular dynamics method", J. Chem. Phys., 81, 511.
17. Hoover, W. G. (1985). "Canonical dynamics - equilibrium phase-space distributions", Phys. Rev. A, 31, 1695.
18. Travis, K. P. and Gubbins, K. E., "Unpublished work".
19. Allen, M. P. and Tildesley, D. J. (1987). "Computer simulation of liquids", Clarendon Press, Oxford.
20. Travis, K. P. and Gubbins, K. E., "Poiseuille flow of WCA and Lennard-Jones fluids in narrow slit pores", J. Chem. Phys., In press.
21. Frenkel, D. and Smit, B. (1996). "Understanding molecular simulation". Academic Press, San Diego.
22. Koplik, J. and Banavar, J. R. (1995). "Continuum deductions from molecular hydrodynamics", Annu. Rev. Fluid Mech., 27, 257.