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Taylor and Francis Group, Molecular Physics, 11-12(110), p. 1269-1288

DOI: 10.1080/00268976.2011.649794

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A generic equation of state for liquid crystalline phases of hard-oblate particles

Journal article published in 2012 by L. Wu, H. H. Wensink, G. Jackson ORCID, E. A. Müller ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

A generic equation of state (EoS) is developed for the hard cylindrical disc model to describe the isotropic phase of hard cut-sphere particles introducing a correction parameter to incorporate the negative contributions from higher-order virial coefficients. The isotropic–nematic–columnar phase diagram of hard cut-sphere fluids is investigated combining the new EoS with a scaled Onsager free energy for the nematic phase and an extended cell theory for columnar phase. By mapping the virial coefficients of an oblate spherocylinder on to those of the cylindrical disc (which are known algebraically), the new generic EoS is used to describe the isotropic and nematic phases of hard oblate spherocylinder particles. The predictions of the generic EoS are compared with available simulation data.