Computer simulation studies on gas permeation through nanoporous carbon membranes by non-equilibrium molecular dynamics

Journal of Chemical Engineering of Japan

Volumn 30, Issue 1, 1997, Pages 116-122

  Furukawa, Shin Ichi ^a   Nitta, Tomoshige ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Ethane; Membrane; Methane; Molecular Dynamics; Non Equilibrium

Indexed keywords

AIR PERMEABILITY; ANIMATION; COMPUTER GRAPHICS; COMPUTER SIMULATION; ETHANE; GAS ADSORPTION; MASS TRANSFER; METHANE; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; POROUS MATERIALS; THERMAL EFFECTS;

NANOPOROUS CARBON MEMBRANES; NONEQUILIBRIUM MOLECULAR DYNAMICS (NEMD);

GAS PERMEABLE MEMBRANES;

COMPUTER SIMULATION; MEMBRANES-INORGANIC; PERMEATION;

EID: 0031079541     PISSN: 00219592     EISSN: None     Source Type: Journal    
DOI: 10.1252/jcej.30.116     Document Type: Article

References (15)

1. Allen, M.P. and D.J. Tildesley; Computer Simulation of Liquids, Clarendon Press, Oxford. England (1987)
2. Chen, Y.D. and R.T. Yang, "Preparation of Carbon Molecular Sieve Membrane and Diffusion of Binary Mixtures in the Membrane," Ind. Eng. Chem. Res., 33, 3146-3153 (1994)
3. Cracknell, R.F., D. Nicholson and N. Quirke; "Direct Molecular Dynamics Simulation of Flow Down a Chemical Potential Gradient in a Slit-Shaped Micropore," Phys. Rev. Lett., 74, 2463-2466 (1995)
4. Evans, D.J. and G.P. Morriss; Statistical Mechanics of Nonequilibrium Liquids, Academic Press, England (1990)
5. Furukawa, S., T. Shigeta and T. Nitta; "Non-Equilibrium Molecular Dynamics for Simulating Permeation of Gas Mixtures through Nanoporous Carbon Membranes," J. Chem. Eng. Japan, 29, 725-728 (1996)
6. Hafskjold, B., T. Ikeshoji and S.K. Ratkje; "On the Molecular Mechanism of Thermal Diffusion in Liquids," Molec. Phys., 80, 1389-1412 (1993)
7. Ikeshoji, T. and B. Hafskjold; "Non-equilibrium Molecular Dynamics Calculation of Heat Conduction in Liquid and through Liquid-Gas Interface," Molec. Phys., 81, 251-261 (1994)
8. Kimura, S.; "Glowing Future of Inorganic Membranes," The J. of the Surface Finishing Society of Japan, 45, 1080-1083 (1994)
9. Nitta, T., M. Nozawa and Y. Hishikawa; "Monte Carlo Simulation of Adsorption of Gases in Carbonaceous Slitlike Pores," J. Chem. Eng. Japan, 26, 266-272 (1993)
10. Nitta, T. and J. Yoneya; "Computer Simulations for Adsorption of Benzene Diluted in Supercritical Carbon Dioxide," J. Chem. Eng. Japan, 28, 31-37 (1995)
11. Nozawa, M. and T. Nitta: "Computer Simulation of Adsorption of Binary LJ Fluids in a Slitlike Pore," Chem. Eng. Symp. Ser., Japan. 35, 119-124 (1993)
12. Rao, M.B. and S. Sircar; "Nanoporous Carbon Membranes for Separation of Gas Mixtures by Selective Surface Flow," J. of Membrane Science, 85, 253-264 (1993)
13. Steele, W.A.; The Interaction of Gases with Solid Surfaces, Pergamon Press, Oxford, England (1974)
14. Suda, H. and K. Haraya; "Molecular Sieving Effect of Carbonized Kapton Polyimide Membrane," Chem. Soc., Chem. Commun., 1179-1180 (1995)
15. Uhlhorn, R.J. R. and A.J. Burggraaf; "Gas Separations with Inorganic Membranes," in Inorganic Membranes: Synthesis, Characterization, and Application by Bhave, R.R (ed.); Van Nostrand Reinhold, New York, USA (1991)