Beyond the single-file fluid limit using transfer matrix method: Exact results for confined parallel hard squares

Péter Gurin, S. Varga

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We extend the transfer matrix method of one-dimensional hard core fluids placed between confining walls for that case where the particles can pass each other and at most two layers can form. We derive an eigenvalue equation for a quasi-one-dimensional system of hard squares confined between two parallel walls, where the pore width is between σ and 3σ (σ is the side length of the square). The exact equation of state and the nearest neighbor distribution functions show three different structures: a fluid phase with one layer, a fluid phase with two layers, and a solid-like structure where the fluid layers are strongly correlated. The structural transition between differently ordered fluids develops continuously with increasing density, i.e., no thermodynamic phase transition occurs. The high density structure of the system consists of clusters with two layers which are broken with particles staying in the middle of the pore.

Original languageEnglish
Article number224503
JournalThe Journal of Chemical Physics
Volume142
Issue number22
DOIs
Publication statusPublished - Jun 14 2015

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Transfer matrix method
files
matrix methods
Fluids
fluids
porosity
Equations of state
confining
Distribution functions
equations of state
eigenvalues
Phase transitions
distribution functions
Thermodynamics
thermodynamics

ASJC Scopus subject areas

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

Cite this

Beyond the single-file fluid limit using transfer matrix method : Exact results for confined parallel hard squares. / Gurin, Péter; Varga, S.

In: The Journal of Chemical Physics, Vol. 142, No. 22, 224503, 14.06.2015.

Research output: Contribution to journalArticle

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