Influence of isotherm inflection on the diffusivities of C5-C8 linear alkanes in MFI zeolite
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[1] R. Krishna,et al. Diffusion of alkane mixtures in zeolites: validating the maxwell-stefan formulation using MD simulations. , 2005, The journal of physical chemistry. B.
[2] R. Krishna,et al. Kinetic Monte Carlo simulations of the loading dependence of diffusion in zeolites , 2005 .
[3] D. Paschek,et al. Modeling the occupancy dependence of diffusivities in zeolites , 2004 .
[4] S. Auerbach,et al. Beyond Lattice Models of Activated Transport in Zeolites: High-Temperature Molecular Dynamics of Self-Diffusion and Cooperative Diffusion of Benzene in NaX , 2004 .
[5] R. Krishna,et al. On the Inflection in the Concentration Dependence of the Maxwell-Stefan diffusivity of CF4 in MFI zeolite , 2004 .
[6] R. Snurr,et al. Nonequilibrium molecular dynamics simulations of diffusion of binary mixtures containing short n-alkanes in faujasite , 2004 .
[7] D. Theodorou,et al. Transport Diffusivity of N2 and CO2 in Silicalite: Coherent Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations , 2004 .
[8] Rajamani Krishna,et al. United Atom Force Field for Alkanes in Nanoporous Materials , 2004 .
[9] D. Sholl,et al. Determination of Concentration Dependent Transport Diffusivity of CF4 in Silicalite by Neutron Scattering Experiments and Molecular Dynamics , 2004 .
[10] J. Falconer,et al. Comparing atomistic simulations and experimental measurements for CH4/CF4 mixture permeation through silicalite membranes , 2003 .
[11] Rajamani Krishna,et al. Modelling issues in zeolite based separation processes , 2003 .
[12] D. Sholl,et al. Molecular Dynamics Simulations of Self-Diffusivities, Corrected Diffusivities, and Transport Diffusivities of Light Gases in Four Silica Zeolites To Assess Influences of Pore Shape and Connectivity , 2003 .
[13] D. Sholl,et al. Correlation effects in diffusion of CH4/CF4 mixtures in MFI zeolite. A study linking MD simulations with the Maxwell-Stefan formulation , 2003 .
[14] David S. Sholl,et al. Transport Diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in Silicalite from Atomistic Simulations , 2002 .
[15] Martin J. Sanborn,et al. Diffusion of binary mixtures of CF4 and n-alkanes in faujasite , 2000 .
[16] M. Coppens,et al. Modeling of Diffusion in Zeolites , 2000 .
[17] F. Kapteijn,et al. Adsorption of Linear and Branched Alkanes in the Zeolite Silicalite-1 , 1998 .
[18] Berend Smit,et al. Understanding molecular simulation: from algorithms to applications , 1996 .
[19] Alexis T. Bell,et al. Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations , 1993 .
[20] Jörg Kärger,et al. Diffusion in Zeolites and Other Microporous Solids , 1992 .