Orientational orders of small anisotropic molecules confined in slit pores

Abstract

The orientationally ordered transitions of small anisotropic molecules confined in two parallel hard walls were studied using a constant pressure Monte Carlo molecular simulations. Based on free energy calculations of isotropic and nematic phases, the IN transition pressure was found to be about 5 for k=3.0. The results indicate that the confining surfaces can shift and drive isotropic-anisotropic phase transitions in small anisotropic molecules. It implies that small molecules can form liquid crystals due to the inducement of confirming surfaces.