Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published March 2008 | Published
Journal Article Open

Wall-mediated self-diffusion in slit and cylindrical pores

Abstract

Analytical and numerical simulation studies are performed on the diffusion of simple fluids in both thin slits and long cylindrical pores. In the region of large Knudsen numbers, where the wall-particle collisions outnumber the intermolecular collisions, we obtain analytical results for the self-diffusion coefficients for both slit and cylindrical pore shapes. The results show anomalous behavior of the mean square displacement and the velocity autocorrelation for the case of slits, unlike the case of cylindrical pores which shows standard Fick's law. Molecular dynamics simulations confirm the analytical results. We further study the wall-mediated diffusion behavior conducted by a Smoluchowski thermal wall and compare with our analytical results obtained from the stochastic thermal wall model proposed by Mon and Percus.

Additional Information

© 2008 The American Physical Society. (Received 11 January 2008; published 21 March 2008) This work was supported by the Korea Research Foundation funded by the Korean Government (MOEHRD, Basic Research Promotion Fund) Grant No. KRF-2005-070-C00065, by the Korea Science and Engineering Foundation Grant No. F01-2006-000-10194-0, by the German Excellence Initiative via Nanosystems Initiative Munich (NIM), by the KOMSCO, and by the Deutsche Forschungsgemeinschaft and the Korea Science and Engineering Foundation in the framework of the joint KOSEF-DFG Contract No. 446 KOR 113/21/01-1.

Attached Files

Published - KIMpre08a.pdf

Files

KIMpre08a.pdf
Files (377.1 kB)
Name Size Download all
md5:f96922a8fd4b30df736597355605485c
377.1 kB Preview Download

Additional details

Created:
August 22, 2023
Modified:
October 16, 2023