화학공학소재연구정보센터
Journal of Chemical Physics, Vol.108, No.4, 1636-1644, 1998
Phase behavior of semiflexible tangent hard sphere chains
The isotropic-nematic phase transition in semiflexible hard chain fluids is investigated via an Onsager type density functional theory. The angle-dependent excluded volume of two chains required in the theory is obtained via Monte Carlo simulations. The theory predicts an isotropic to nematic phase transition at lower densities than those predicted by previous theories. These results compare favorably with available simulation data.