Modeling the occupancy dependence of diffusivities in zeolites

[1]  R. Krishna,et al.  On the Inflection in the Concentration Dependence of the Maxwell-Stefan diffusivity of CF4 in MFI zeolite , 2004 .

[2]  R. Snurr,et al.  Nonequilibrium molecular dynamics simulations of diffusion of binary mixtures containing short n-alkanes in faujasite , 2004 .

[3]  J. Falconer,et al.  Comparing atomistic simulations and experimental measurements for CH4/CF4 mixture permeation through silicalite membranes , 2003 .

[4]  Rajamani Krishna,et al.  Modelling issues in zeolite based separation processes , 2003 .

[5]  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 .

[6]  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 .

[7]  Prabir K. Dutta,et al.  Handbook of Zeolite Science and Technology , 2003 .

[8]  S. Auerbach,et al.  Diffusion in Zeolites , 2003 .

[9]  Tracy Q. Gardner,et al.  Transient measurements of adsorption and diffusion in H‐ZSM‐5 membranes , 2002 .

[10]  D. Paschek,et al.  Self-diffusivities in multicomponent mixtures in zeolites , 2002 .

[11]  David S. Sholl,et al.  Transport Diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in Silicalite from Atomistic Simulations , 2002 .

[12]  D. Sholl,et al.  Direct Tests of the Darken Approximation for Molecular Diffusion in Zeolites Using Equilibrium Molecular Dynamics , 2001 .

[13]  D. Paschek,et al.  Inter-relation between self- and jump- diffusivities in zeolites , 2001 .

[14]  Martin J. Sanborn,et al.  Molecular modeling of multicomponent diffusion in zeolites , 2001 .

[15]  D. Paschek,et al.  Kinetic Monte Carlo simulations of transport diffusivities of binary mixtures in zeolites , 2001 .

[16]  D. Paschek,et al.  Diffusion of Binary Mixtures in Zeolites: Kinetic Monte Carlo versus Molecular Dynamics Simulations , 2001 .

[17]  Scott M. Auerbach,et al.  Theory and simulation of jump dynamics, diffusion and phase equilibrium in nanopores , 2000 .

[18]  S. Yashonath,et al.  Types of Dependence of Self-Diffusivity on Sorbate Concentration in Parameter Space: A Two-Dimensional Lattice Gas Study , 2000 .

[19]  D. Paschek,et al.  Monte Carlo simulations of self- and transport-diffusivities of 2-methylhexane in silicalite , 2000 .

[20]  M. Coppens,et al.  Modeling of Diffusion in Zeolites , 2000 .

[21]  Adsorption and diffusion of repulsively interacting particles on a triangular lattice , 2000 .

[22]  C. Uebing,et al.  Diffusion of Interacting Adsorbates on a Square Lattice , 1999 .

[23]  D. M. Ford,et al.  A transition-state theory approach to adsorbate dynamics at arbitrary loadings , 1999 .

[24]  S. Yashonath,et al.  Dependence of the self-diffusion coefficient on the sorbate concentration: A two-dimensional lattice gas model with and without confinement , 1999 .

[25]  Alexis T. Bell,et al.  Dynamic Monte-Carlo and mean-field study of the effect of strong adsorption sites on self-diffusion in zeolites , 1999 .

[26]  J. Kärger,et al.  Diffusion of a Mixture of Methane and Xenon in Silicalite: A Molecular Dynamics Study and Pulsed Field Gradient Nuclear Magnetic Resonance Experiments , 1998 .

[27]  Alexis T. Bell,et al.  Effect of topology and molecular occupancy on self-diffusion in lattice models of zeolites—Monte-Carlo simulations , 1998 .

[28]  Jörg Kärger,et al.  Diffusion in Zeolites and Other Microporous Solids , 1992 .

[29]  S. Goodbody,et al.  Molecular simulation of methane and butane in silicalite , 1991 .

[30]  B. Smit,et al.  Mobility of adsorbed species in zeolites: A molecular dynamics simulation of xenon in silicalite. , 1990 .

[31]  Douglas M. Ruthven,et al.  Principles of Adsorption and Adsorption Processes , 1984 .

[32]  David A. Reed,et al.  Surface diffusivity and the time correlation of concentration fluctuations , 1981 .

[33]  D. A. Reed,et al.  Surface diffusion, atomic jump rates and thermodynamics☆ , 1981 .

[34]  Alan L. Myers,et al.  Thermodynamics of mixed‐gas adsorption , 1965 .