Home > 2001, Paper > The Smectic Phase of Spherical-Fan Shaped Molecules. A Computer Simulation Study

The Smectic Phase of Spherical-Fan Shaped Molecules. A Computer Simulation Study

May 9th, 2010

A. G. Vanakaras and D.J. Photinos, Chem. Phys. Lett., 341(1-2), 129-134 (2001).

Abstract: We have used Monte Carlo (MC) NPT computer simulations to study a system of spherical-fan-shaped particles made of three hard discs fused along a common diameter. The calculated equation of state indicates a strong, entropy driven. first-order transition from the isotropic phase to a layered phase that has the basic characteristics of the usual smectic-A mesophase but with strongly correlated rotations about the symmetry axes of neighbouring molecules.

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