Computer simulation of the interaction of polymer chains with the liquid-crystalline matrix

Abstract

The Monte Carlo method has been used to calculate the change in the free energy ΔF of PE chains accompanying their incorporation in an anisotropic matrix formed by rigid rods of infinite length. The dependence of ΔF on the chain length N and on the anisotropic matrix density characterized by the average distance h between the axes of the nearest rods has been analyzed. For h < R ( R being the average distance between the chain ends for an isolated chain with an excluded volume) Δ ∼ Nh − α , where α=1·98. Changes in teh average lengths of chains, and the orientation of the R vector have been investigated in relation to h. The results of ΔF calculations coincide rather well with available experimental data.