Ordering transitions of weakly anisotropic hard rods in narrow slitlike pores

Roohollah Aliabadi, Péter Gurin, Enrique Velasco, S. Varga

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The effect of strong confinement on the positional and orientational ordering is examined in a system of hard rectangular rods with length L and diameter D (L>D) using the Parsons-Lee modification of the second virial density-functional theory. The rods are nonmesogenic (L/D<3) and confined between two parallel hard walls, where the width of the pore (H) is chosen in such a way that both planar (particle's long axis parallel to the walls) and homeotropic (particle's long axis perpendicular to the walls) orderings are possible and a maximum of two layers is allowed to form in the pore. In the extreme confinement limit of H≤2D, where only one-layer structures appear, we observe a structural transition from a planar to a homeotropic fluid layer with increasing density, which becomes sharper as L→H. In wider pores (2D<H<3D) planar order with two layers, homeotropic order, and even combined bilayer structures (one layer is homeotropic, while the other is planar) can be stabilized at high densities. Moreover, first-order phase transitions can be seen between different structures. One of them emerges between a monolayer and a bilayer with planar orders at relatively low packing fractions.

Original languageEnglish
Article number012703
JournalPhysical Review E
Volume97
Issue number1
DOIs
Publication statusPublished - Jan 16 2018

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rods
porosity
First-order Phase Transition
Density Functional
Perpendicular
Packing
Extremes
density functional theory
Fluid
fluids

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics
  • Statistical and Nonlinear Physics

Cite this

Ordering transitions of weakly anisotropic hard rods in narrow slitlike pores. / Aliabadi, Roohollah; Gurin, Péter; Velasco, Enrique; Varga, S.

In: Physical Review E, Vol. 97, No. 1, 012703, 16.01.2018.

Research output: Contribution to journalArticle

Aliabadi, Roohollah ; Gurin, Péter ; Velasco, Enrique ; Varga, S. / Ordering transitions of weakly anisotropic hard rods in narrow slitlike pores. In: Physical Review E. 2018 ; Vol. 97, No. 1.
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