화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.516, 74-80, 2010
Pressure Dependence of Phase Transition Behaviour in Nematic and Isotropic Phases for the Gay-Berne Discogens
We investigated pressure dependence of phase transition behaviour in the nematic isotropic phase transition with molecular dynamics simulations of the Gay-Berne disc model over a range of pressures from 5.0 to 30.0 before investigating molecular and director dynamics of the system. The nematic-isotropic transition temperature changes non-linearly, which is similar to the change in real nematics. The change in the transition temperature can be fitted with a second order polynomial function. Moreover, the Clapeyron relationship between the systems at two different pressures is also reasonably valid.