Nonequilibrium molecular dynamics simulation of gas-mixtures transport in carbon-nanopore membranes

I. V. Kaganov*, M. Sheintuch

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

The gas-mixtures transport study in carbon-nanopore membranes, based on nonequilibrium molecular dynamics simulation, was analyzed. The study analyzed the cotransport of hydrogen and alkane gas mixtures with different molecular sizes via a porous carbon membrane. The simulated permeabilities and selectivities in the diffusive systems were predicted from single-gas permeabilities. The simulation results were compared for two- and three-component codiffusion and counterdiffusion in a carbon membrane.

Original languageEnglish
Article number046701
Pages (from-to)467011-467017
Number of pages7
JournalPhysical Review E
Volume68
Issue number4 2
StatePublished - Oct 2003
Externally publishedYes

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