The role of attractive interactions in rod-sphere mixtures

ANTYPOV, D. and CLEAVER, D. J. (2004). The role of attractive interactions in rod-sphere mixtures. Journal of chemical physics, 120 (21), 10307-10316.


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We present a computer simulation study of binary mixtures of prolate Gay-Berne particles and Lennard-Jones spheres. Results are presented for three such rod-sphere systems which differ from each other only in the interaction between unlike particles. Both the mixing-demixing behavior and the transitions between the isotropic and any liquid crystalline phases are studied for each system, as a function of temperature and concentration ratio. For systems which show macroscopic demixing, the rod-sphere interaction is shown to give direct control over interfacial anchoring properties, giving rise to the possibility of micellar phase formation in the case of homeotropic anchoring. Additionally, it is shown that on incorporating high concentrations of spheres into a system of rods with weak demixing properties, microphase-separated structures can be induced, including bicontinuous and lamellar arrangements.

Item Type: Article
Additional Information: © 2004 American Institute of Physics
Research Institute, Centre or Group: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
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Depositing User: Ann Betterton
Date Deposited: 19 Apr 2007
Last Modified: 11 May 2018 17:24

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