Biaxial layering transition of hard rod-like particles in narrow slit-like pores

The phase behavior of hard rectangular rods with length L and diameter D is studied in a narrow slit-like pore using the Parsons-Lee density functional theory. Using the restricted orientation approximation, we find strong adsorption at the walls with planar ordering, second order uniaxial-biaxial o...

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Bibliographic Details
Published in:arXiv.org 2018-08
Main Authors: Salehi, Hamdollah, Mizani, Sakine, Aliabadi, Roohollah, Varga, Szabolcs
Format: Article
Language:English
Subjects:
Anisotropy
Density functional theory
Layering
Online Access:Get full text
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Summary:The phase behavior of hard rectangular rods with length L and diameter D is studied in a narrow slit-like pore using the Parsons-Lee density functional theory. Using the restricted orientation approximation, we find strong adsorption at the walls with planar ordering, second order uniaxial-biaxial ordering transitions and first order layering transitions. The layering transition takes place between two fluids having n and n+1 layers, where the layer spacing is in the order of D. In the case of weak shape anisotropy (L/D=3), the coexisting fluids can be either uniaxial or biaxial, while both phases are found to be biaxial for L/D=6 and L/D=9. Interestingly, even two or more layering transitions can be observed with increasing density at a given shape anisotropy and pore width.
ISSN:2331-8422
DOI:10.48550/arxiv.1808.03839