Non-equilibrium molecular dynamics simulation on permeation and separation of H2/CO in nanoporous carbon membranes

[1]  Mark B. Shiflett,et al.  Hydrogen purification using room-temperature ionic liquids , 2007 .

[2]  G. Gao,et al.  Non-equilibrium Molecular Dynamics Simulation on Pure Gas Permeability Through Carbon Membranes , 2006 .

[3]  G. Gao,et al.  Grand canonical Monte Carlo and non-equilibrium molecular dynamics simulation study on the selective adsorption and fluxes of oxygen/nitrogen gas mixtures through carbon membranes , 2006 .

[4]  Erin M. Lennon,et al.  Transport of a liquid water and methanol mixture through carbon nanotubes under a chemical potential gradient. , 2005, The Journal of chemical physics.

[5]  N. Seaton,et al.  Non-equilibrium molecular dynamics simulation of gas separation in a microporous carbon membrane , 2003 .

[6]  Tomoshige Nitta,et al.  Simulation for separation of hydrogen and carbon monoxide by adsorption on single-walled carbon nanotubes , 2002 .

[7]  Hsueh-Chia Chang,et al.  A critical comparison of equilibrium, non-equilibrium and boundary-driven molecular dynamics techniques for studying transport in microporous materials , 2001 .

[8]  M. Sahimi,et al.  Structural characterization of polyetherimide-based carbon molecular sieve membranes , 2000 .

[9]  S. Furukawa.  Non-equilibrium molecular dynamics simulation studies on gas permeation across carbon membranes with different pore shape composed of micro-graphite crystallites , 2000 .

[10]  M. Sahimi,et al.  Nonequilibrium molecular dynamics simulation of transport and separation of gases in carbon nanopores. II. Binary and ternary mixtures and comparison with the experimental data , 2000 .

[11]  M. Sahimi,et al.  Transport and morphological characteristics of polyetherimide-based carbon molecular sieve membranes , 1999 .

[12]  Muhammad Sahimi,et al.  Nonequilibrium molecular dynamics simulation of transport and separation of gases in carbon nanopores. I. Basic results , 1999 .

[13]  J. MacElroy,et al.  Nonequilibrium molecular dynamics simulation of a model carbon membrane separation of CH4/H2 mixtures , 1999 .

[14]  T. Sugahara,et al.  Non-Equilibrium MD Studies on Gas Permeation through Carbon Membranes with Belt-like Heterogeneous Surfaces , 1999 .

[15]  P. Pohl,et al.  Massively parallel molecular dynamics simulation of gas permeation across porous silica membranes , 1999 .

[16]  K. Gubbins,et al.  Transport Diffusion of Oxygen−Nitrogen Mixtures in Graphite Pores: A Nonequilibrium Molecular Dynamics (NEMD) Study† , 1999 .

[17]  K. Kusakabe,et al.  Gas permeation and micropore structure of carbon molecular sieving membranes modified by oxidation , 1998 .

[18]  M. Sahimi,et al.  Experiments and Simulation of Transport and Separation of Gas Mixtures in Carbon Molecular Sieve Membranes , 1998 .

[19]  Marc A. Rosen,et al.  Comparative efficiency assessments for a range of hydrogen production processes , 1998 .

[20]  M. Sahimi,et al.  NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION OF TRANSPORT OF GAS MIXTURES IN NANOPORES , 1998 .

[21]  S. Furukawa,et al.  Computer Simulation Studies on Gas Permeation through Nanoporous Carbon Membranes by Non-Equilibrium Molecular Dynamics , 1997 .

[22]  Berend Smit,et al.  Understanding molecular simulation: from algorithms to applications , 1996 .

[23]  H. P. Hsieh,et al.  Inorganic Membranes for Separation and Reaction , 1996 .

[24]  Shivaji Sircar,et al.  Performance and pore characterization of nanoporous carbon membranes for gas separation , 1996 .

[25]  Cracknell,et al.  Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore. , 1995, Physical review letters.

[26]  J. MacElroy.  Nonequilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes , 1994 .

[27]  Grant S. Heffelfinger,et al.  Diffusion in Lennard-Jones Fluids Using Dual Control Volume Grand Canonical Molecular Dynamics Simulation (DCV-GCMD) , 1994 .

[28]  V. Buch,et al.  Path integral simulations of mixed para‐D2 and ortho‐D2 clusters: The orientational effects , 1994 .

[29]  T. Ikeshoji,et al.  Non-equilibrium molecular dynamics calculation of heat conduction in liquid and through liquid-gas interface , 1994 .

[30]  Shivaji Sircar,et al.  Nanoporous carbon membranes for separation of gas mixtures by selective surface flow , 1993 .

[31]  S. Furukawa,et al.  Effects of surface heterogeneity on gas permeation through slit-like carbon membranes by non-equilibrium molecular dynamics simulations. , 1997 .

[32]  M. Rao,et al.  Nanoporous carbon membrane for gas separation , 1993 .