| Numéro |
J. Phys. IV France
Volume 10, Numéro PR7, May 2000
International Workshop on Dynamics in Confinement
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|---|---|---|
| Page(s) | Pr7-143 - Pr7-146 | |
| DOI | https://doi.org/10.1051/jp4:2000728 | |
International Workshop on Dynamics in Confinement
J. Phys. IV France 10 (2000) Pr7-143-Pr7-146
DOI: 10.1051/jp4:2000728
1 Department of Chemical Engineering, University of Patras, and Institute of Chemical Engineering and High Temperature Chemical Processes, 26500 Patras, Greece
2 Institut de Recherches sur la Catalyse, CNRS, 2 avenue Albert Einstein, 69626 Villeurbanne, France
© EDP Sciences 2000
J. Phys. IV France 10 (2000) Pr7-143-Pr7-146
DOI: 10.1051/jp4:2000728
Dynamics of alkane mixtures in silicalite pores
L.N. Gergidis1, D.N. Theodorou1 and H. Jobic21 Department of Chemical Engineering, University of Patras, and Institute of Chemical Engineering and High Temperature Chemical Processes, 26500 Patras, Greece
2 Institut de Recherches sur la Catalyse, CNRS, 2 avenue Albert Einstein, 69626 Villeurbanne, France
Abstract
The transport of n-butane – methane mixtures in silicalite has been studied at 200 K using molecular dynamics simulations and quasi-elastic neutron scattering experiments. The dependence on the wave vector of the half-width at half-maximum of the incoherent dynamic structure factor is indicative of a jump diffusion process. Distributions of the jump lengths of methane using a coarse-grained jump model have shown that the jump lengths are widely distributed between 0 and 15 Å, the mean jump length being a decreasing function of the loading. Self-diffusivity values calculated from the dynamics simulations are in excellent agreement with the experimental measurements from quasi-elastic neutron scattering.
© EDP Sciences 2000