Hopping time of a hard disk fluid in a narrow channel

K. K. Mon, Jerome Percus

Research output: Contribution to journalArticle

Abstract

We use Monte Carlo (MC) and molecular dynamics (MD) methods to study the self-diffusion of hard disk fluids, confined within a narrow channel. The channels have a pore radius of Rp, above the passing limit of hard disk diameter (hd). We focus on the average time (τhop) needed for a hard disk to hop past a nearest neighbor in the longitudinal direction. This parameter plays a key role in a recent theory of the crossover from single-file diffusion to the bulk limit. For narrow channels near the hopping threshold (Rp =1 in units of hd), both MC and MD results for τhop diverge as ∼ (Rp -1) -2. Our results indicate that the scaling law exponent does not appear to be dependent on the differences between the two dynamics. This exponent is consistent with the prediction of an approximate transition state theory.

Original languageEnglish (US)
Article number094702
JournalJournal of Chemical Physics
Volume127
Issue number9
DOIs
StatePublished - 2007

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Hard disk storage
Fluids
fluids
Molecular dynamics
exponents
molecular dynamics
Scaling laws
files
scaling laws
crossovers
porosity
radii
thresholds
predictions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Hopping time of a hard disk fluid in a narrow channel. / Mon, K. K.; Percus, Jerome.

In: Journal of Chemical Physics, Vol. 127, No. 9, 094702, 2007.

Research output: Contribution to journalArticle

Mon, K. K. ; Percus, Jerome. / Hopping time of a hard disk fluid in a narrow channel. In: Journal of Chemical Physics. 2007 ; Vol. 127, No. 9.
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