Molecular traffic control in a nanoscale system

Louis A. Clark*, George T. Ye, Randall Q. Snurr

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

Atomistic molecular dynamics simulations are used to elucidate a novel and exploitable transport phenomenon known as "molecular traffic control." Under some conditions a binary mixture of differently sized molecules in a structure possessing dual sized pores can exhibit a surprising effect. In the case examined, size segregation and other effects lead to physical separation of the two species through anisotropic diffusion. We have established the underlying causes of this effect in an equilibrium system and used simulations of a relaxing system to show that these causes also hold under nonequilibrium conditions.

Original languageEnglish (US)
Article number2893
JournalPhysical review letters
Volume84
Issue number13
DOIs
StatePublished - Mar 27 2000

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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