메뉴 건너뛰기




Volumn 36, Issue 11, 2003, Pages 1364-1369

Non-equilibrium dynamic Monte Carlo simulations on methane and ethylene permeations through MFI-type silicalite membranes

Author keywords

Ethylene; Gas permeation; Methane; Non equilibrium dynamics Monte Carlo; Zeolite membranes

Indexed keywords

COMPUTER SIMULATION; ETHYLENE; MATHEMATICAL MODELS; MECHANICAL PERMEABILITY; MONTE CARLO METHODS;

EID: 0346461402     PISSN: 00219592     EISSN: None     Source Type: Journal    
DOI: 10.1252/jcej.36.1364     Document Type: Article
Times cited : (5)

References (17)
  • 1
    • 33751155853 scopus 로고
    • Transport theory for cationic zeolites: Diffusion of Benzene in Na-Y
    • Auerbach, S. M., N. J. Henson, A. K. Cheetham and H. I. Metiu; "Transport Theory for Cationic Zeolites: Diffusion of Benzene in Na-Y," J. Phys. Chem., 99, 10600-10608 (1995)
    • (1995) J. Phys. Chem. , vol.99 , pp. 10600-10608
    • Auerbach, S.M.1    Henson, N.J.2    Cheetham, A.K.3    Metiu, H.I.4
  • 3
    • 0000641215 scopus 로고
    • Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore
    • 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)
    • (1995) Phys. Rev. Lett. , vol.74 , pp. 2463-2466
    • Cracknell, R.F.1    Nicholson, D.2    Quirke, N.3
  • 4
    • 36448998595 scopus 로고
    • Theoretical foundations of dynamical Monte Carlo simulations
    • Fichthorn, K. A. and W. H. Weinberg; "Theoretical Foundations of Dynamical Monte Carlo Simulations." J. Chem. Phys., 95, 1090-1096(1991)
    • (1991) J. Chem. Phys. , vol.95 , pp. 1090-1096
    • Fichthorn, K.A.1    Weinberg, W.H.2
  • 5
    • 84885509716 scopus 로고
    • An MD study on the correlation between transport diffusion and self-diffusion in zeolites
    • Fritzsche, S., R. Haberlandt and J. Kärger; "An MD Study on the Correlation between Transport Diffusion and Self-Diffusion in Zeolites," Zeitschrift für Physikalische Chemie, 189, S.211-220 (1995)
    • (1995) Zeitschrift für Physikalische Chemie , vol.189
    • Fritzsche, S.1    Haberlandt, R.2    Kärger, J.3
  • 6
    • 0000811986 scopus 로고
    • Diffusion in Lennard-Jones fluids using dual control-volume grand-canonical molecular-dynamics simulation (DCV-GCMD)
    • Heffelfinger, G. S. and F. von Swol; "Diffusion in Lennard-Jones Fluids Using Dual Control-Volume Grand-Canonical Molecular-Dynamics Simulation (DCV-GCMD)," J. Chem. Phys., 100, 7548-7552 (1994)
    • (1994) J. Chem. Phys. , vol.100 , pp. 7548-7552
    • Heffelfinger, G.S.1    von Swol, F.2
  • 7
    • 0030153141 scopus 로고    scopus 로고
    • Three-dimensional Monte Carlo calculations of diffusion and reaction phenomena in zeolites
    • Hinderer, J. and F. J. Keil; "Three-dimensional Monte Carlo Calculations of Diffusion and Reaction Phenomena in Zeolites," Chem. Eng. Sci., 51, 2667-2672 (1996)
    • (1996) Chem. Eng. Sci. , vol.51 , pp. 2667-2672
    • Hinderer, J.1    Keil, F.J.2
  • 8
    • 0001456289 scopus 로고    scopus 로고
    • Diffusion and percolation on zeolite sorption lattice
    • Keffer, D., A. V. McCormick and H. T. Davis; "Diffusion and Percolation on Zeolite Sorption Lattice," J. Phys. Chem., 100, 967-973 (1996)
    • (1996) J. Phys. Chem. , vol.100 , pp. 967-973
    • Keffer, D.1    McCormick, A.V.2    Davis, H.T.3
  • 9
    • 36449004382 scopus 로고
    • Non-equilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes
    • MacElroy, J. M. D.; "Non-Equilibrium Molecular Dynamics Simulation of Diffusion and Flow in Thin Microporous Membranes." J. Chem. Phys., 101, 5274-5280 (1994)
    • (1994) J. Chem. Phys. , vol.101 , pp. 5274-5280
    • MacElroy, J.M.D.1
  • 10
    • 33751385559 scopus 로고
    • Transport diffusivity of methane in silicalite from equilibrium and non-equilibrium simulations
    • Maginn, E. J., A. T. Bell and D. N. Theodorou; "Transport Diffusivity of Methane in Silicalite from Equilibrium and Non-equilibrium Simulations," J. Phys. Chem., 97, 4173-4181 (1993)
    • (1993) J. Phys. Chem. , vol.97 , pp. 4173-4181
    • Maginn, E.J.1    Bell, A.T.2    Theodorou, D.N.3
  • 11
    • 0034828075 scopus 로고    scopus 로고
    • Kinetic Monte Carlo simulations of transport diffusivities of binary mixtures in zeolites
    • Paschek, D. and R. Krishna; "Kinetic Monte Carlo Simulations of Transport Diffusivities of Binary Mixtures in Zeolites," Phys. Chem. Chem. Phys., 3, 3185-3191 (2001)
    • (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 3185-3191
    • Paschek, D.1    Krishna, R.2
  • 12
    • 0000238387 scopus 로고    scopus 로고
    • Molecular dynamics computer simulation of gas permeation in thin silicalite membrane
    • Pohl, P. I., G. S. Heffelfinger and D. M. Smith; "Molecular Dynamics Computer Simulation of Gas Permeation in Thin Silicalite Membrane," Molecular Physics, 89, 1725-1731 (1996)
    • (1996) Molecular Physics , vol.89 , pp. 1725-1731
    • Pohl, P.I.1    Heffelfinger, G.S.2    Smith, D.M.3
  • 13
    • 0000806496 scopus 로고    scopus 로고
    • In situ PFG NMR study of in tracrystalline diffusion during ethene conversion in ZSM-5
    • Snurr, R. Q., A. Hagen, H. Ernst, H. B. Schwarz, S. Ernst, J. Weitkamp and J. Karger; "In situ PFG NMR Study of In tracrystalline Diffusion during Ethene Conversion in ZSM-5," J. Catal., 163, 130-137 (1996)
    • (1996) J. Catal. , vol.163 , pp. 130-137
    • Snurr, R.Q.1    Hagen, A.2    Ernst, H.3    Schwarz, H.B.4    Ernst, H.5    Weitkamp, J.6    Karger, J.7
  • 14
    • 0034624867 scopus 로고    scopus 로고
    • Estimation of gas permeability of a zeolite membrane, based on a molecular simulation technique and permeation model
    • Suzuki, S., H. Takaba, T. Yamaguchi and S. Nakao; "Estimation of Gas Permeability of a Zeolite Membrane, Based on a Molecular Simulation Technique and Permeation Model," J. Phys. Chem. B, 104, 1971-1976 (2000)
    • (2000) J. Phys. Chem. B , vol.104 , pp. 1971-1976
    • Suzuki, S.1    Takaba, H.2    Yamaguchi, T.3    Nakao, S.4
  • 16
    • 0031193840 scopus 로고    scopus 로고
    • Diffusion and reaction in ZSM-5 studied by dynamics Monte Carlo
    • Trout, B. L., A. K. Chakraborty and A. T. Bell; "Diffusion and Reaction in ZSM-5 Studied by Dynamics Monte Carlo," Chem. Eng. Sci., 52, 2265-2276 (1997)
    • (1997) Chem. Eng. Sci. , vol.52 , pp. 2265-2276
    • Trout, B.L.1    Chakraborty, A.K.2    Bell, A.T.3
  • 17
    • 44949284432 scopus 로고
    • Diffusion and reaction in high-occupancy zeolite catalysis-I. A statistical theory
    • Tsikoyiannis, J. G. and J. Wei; "Diffusion and Reaction in High-Occupancy Zeolite Catalysis-I. A Statistical Theory," Chem. Eng. Sci., 46, 233-253 (1991)
    • (1991) Chem. Eng. Sci. , vol.46 , pp. 233-253
    • Tsikoyiannis, J.G.1    Wei, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.