NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATION OF TRANSPORT OF GAS-MIXTURES IN NANOPORES

Authors
XU LF SEDIGH MG SAHIMI M TSOTSIS TT
Citation
Lf. Xu et al., NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATION OF TRANSPORT OF GAS-MIXTURES IN NANOPORES, Physical review letters, 80(16), 1998, pp. 3511-3514
Citations number
18
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
80
Issue
16
Year of publication
1998
Pages
3511 - 3514
Database
ISI
SICI code
0031-9007(1998)80:16<3511:NMSOTO>2.0.ZU;2-I
Abstract
The results of the first nonequilibrium molecular dynamics simulation of transport of a gas mixture through a carbon nanopore, in the presen ce of an external chemical potential gradient, are reported. While the structure of the pore walls and the composition of the mixture have e ssentially no effect on the separation factor, the temperature of the system and the pore size strongly influence it. The results are in qua litative agreement with the new experimental data that are presented i n this Letter.