Skip to main navigation Skip to search Skip to main content

Calculation of inhomogeneous-fluid cluster expansions with application to the hard-spherehard-wall system

  • SUNY Buffalo

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

We examine the suitability of cluster expansion methods for the description of inhomogeneous fluids. In particular, we apply these methods to characterize the density profile, surface tension, and excess adsorption for a hard-sphere fluid near a hard wall. Coefficients for these series up to seventh order are evaluated by the Mayer-sampling Monte Carlo method. Comparison of the series to Monte Carlo simulations of these systems finds very good agreement up to bulk densities approaching the freezing point. This work indicates that knowledge of surface cluster integrals of inhomogeneous systems can be at least as useful as the bulk-phase virial expansions.

Original languageEnglish
Article number134706
JournalJournal of Chemical Physics
Volume138
Issue number13
DOIs
StatePublished - Apr 7 2013

Fingerprint

Dive into the research topics of 'Calculation of inhomogeneous-fluid cluster expansions with application to the hard-spherehard-wall system'. Together they form a unique fingerprint.

Cite this