|Title||Monte Carlo simulations of orientational ordering of solutes in a nematic solvent: Comparison with mean-field models|
|Publication Type||Journal Article|
|Year of Publication||1996|
|Authors||Polson, JM, Burnell, EE|
|Type of Article||Article|
|Keywords||ANISOTROPIC SYSTEMS, COMPUTER-SIMULATION, ELECTRIC-DIPOLE INTERACTIONS, LIQUID-CRYSTALS, MOLECULES, NEMATOGEN, PHASE, POTENTIALS, SIZE|
Monte Carlo simulations were used to study orientational ordering of solutes in a nematic phase. Nematogens were modelled as hard prolate ellipsoids with an axis ratio of 5:1. Solutes were also modelled as hard prolate ellipsoids, with a variety of sizes and shape anisotropies. Solute order parameters and singlet orientational distribution functions were analysed using several mean-field models. The results confirm that these empirical mean-field potentials are closely linked to the anisotropic short-range repulsive forces that are crucial for the formation of the nematic phase.
|URL||<Go to ISI>://A1996UT95100015|