Pair correlation functions of two- and three-dimensional hard-core fluids confined into narrow pores: Exact results from transfer-matrix method

Péter Gurin, S. Varga

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The effect of confinement is studied on the local structure of two- and three-dimensional hard-core fluids. The hard disks are confined between two parallel lines, while the hard spheres are in a cylindrical hard pore. In both cases only nearest neighbour interactions are allowed between the particles. The vertical and longitudinal pair correlation functions are determined by means of the exact transfer-matrix method. The vertical pair correlation function indicates that the wall induced packing constraint gives rise to a zigzag (up-down sequence) shaped close packing structure in both two- and three-dimensional systems. The longitudinal pair correlation function shows that both systems transform continuously from a one-dimensional gas-like behaviour to a zigzag solid-like structure with increasing density.

Original languageEnglish
Article number244708
JournalThe Journal of Chemical Physics
Volume139
Issue number24
DOIs
Publication statusPublished - Dec 28 2013

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Transfer matrix method
matrix methods
porosity
Fluids
fluids
Hard disk storage
Gases
gases
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

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AB - The effect of confinement is studied on the local structure of two- and three-dimensional hard-core fluids. The hard disks are confined between two parallel lines, while the hard spheres are in a cylindrical hard pore. In both cases only nearest neighbour interactions are allowed between the particles. The vertical and longitudinal pair correlation functions are determined by means of the exact transfer-matrix method. The vertical pair correlation function indicates that the wall induced packing constraint gives rise to a zigzag (up-down sequence) shaped close packing structure in both two- and three-dimensional systems. The longitudinal pair correlation function shows that both systems transform continuously from a one-dimensional gas-like behaviour to a zigzag solid-like structure with increasing density.

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