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Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluid

  • University of Texas at Austin

Research output: Contribution to journalArticlepeer-review

141 Scopus citations

Abstract

We study how confining the equilibrium hard-sphere fluid to restrictive one- and two-dimensional channels with smooth interacting walls modifies its structure, dynamics, and entropy using molecular dynamics and transition-matrix Monte Carlo simulations. Although confinement strongly affects local structuring, the relationships between self-diffusivity, excess entropy, and average fluid density are, to an excellent approximation, independent of channel width or particle-wall interactions. Thus, thermodynamics can be used to predict how confinement impacts dynamics.

Original languageEnglish
Article number177804
JournalPhysical Review Letters
Volume96
Issue number17
DOIs
StatePublished - 2006

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