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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 77, 1992 - Issue 1
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Original Articles

A shape model for molecular ordering in nematics

A. Ferrarini Department of Physical Chemistry, University of Padua, 35131, Padova, Italy
,
G.J. Moro Department of Physical Chemistry, University of Padua, 35131, Padova, Italy
,
P.L. Nordio Department of Physical Chemistry, University of Padua, 35131, Padova, Italy
&
G.R. Luckhurst Department of Chemistry, University of Southampton, Southampton, SO9 5NH, UK
Pages 1-15 | Received 13 Feb 1992, Accepted 16 Mar 1992, Published online: 22 Aug 2006
 
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Abstract

An explicit form for the orientating potential acting in uniaxial liquid crystal phases is derived, by analogy with the surface anchoring potential which determines the orientation of macroscopic anisometric particles. The surface of a molecule is determined by describing the molecule as an assembly of van der Waals spheres. The model is successfully applied to predict the ordering tensors for a variety of systems, namely, solutions in nematic solvents of small and rigid probes, or relatively long n-alkanes with many degrees of internal freedom, and pure nematogens formed by aromatic cores attached to flexible chains.

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