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Effects of surface roughness on self- and transport diffusion in porous media in the Knudsen regime

Coppens, M; Malek, K; (2001) Effects of surface roughness on self- and transport diffusion in porous media in the Knudsen regime. Physical Review Letters , 87 (12) 10.1103/PhysRevLett.87.125501. Green open access

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Abstract

The effect of surface roughness on Knudsen diffusion in nanoporous media is investigated by means of dynamic Monte Carlo simulations in three-dimensional rough fractal pores. These simulations yield new insight and explain a number of apparent inconsistencies by revealing a striking difference between the roughness dependence of transport diffusion and gradientless (self- or tracer) diffusion. Both analytical and simulation results show a significant roughness dependence of self-diffusion in the Knudsen regime. Transport diffusion, on the other hand, is roughness independent, as the fluxes do not depend on the detailed residence time and molecular trajectories.

Type: Article
Title: Effects of surface roughness on self- and transport diffusion in porous media in the Knudsen regime
Location: USA
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevLett.87.125501
Publisher version: http://dx.doi.org/10.1103/PhysRevLett.87.125501
Language: English
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: http://discovery.ucl.ac.uk/id/eprint/1367399
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