Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymers

Tao Jiang, Jianzhong Wu
2007 Journal of Chemical Physics  
We present a hybrid method to investigate the isotropic-nematic ͑I-N͒ transition in athermal solutions of rod-coil copolymers. This method incorporates the scaled-particle theory for semiflexible chains with two-chain Monte Carlo simulation for the osmotic second virial coefficient and for the angle-dependent excluded volume. We compare the theoretical prediction with Monte Carlo simulations for fused rod-coil copolymers and find good agreement for both the equation of state and the
more » ... l order parameter. The theory is also used to examine the effects of the bond length, the chain length, and the chain composition on orientational ordering in athermal solutions of rod-coil block copolymers. It predicts I-N transition in rod-coil copolymers with fixed rod length but a variable flexible tail in good agreement with experiments.
doi:10.1063/1.2751497 pmid:17655458 fatcat:uc4kqubwxra4tf72cjoskw64ua