PAb04 アルキル鎖長の異なるポリアクリレート/液晶界面の分子動力学シミュレーション

概要

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We have performed molecular dynamics (MD) simulation of model interfaces, polymethylacrylate (PMA)/5CB and poly (n-laurylacrylate) (PLA)/5CB. The system consists of amorphous polyacrylate film (one chain, about 7500 atoms) and random phase of 5CB (540 molecules, 10260 atoms). We have observed orientation behavior in both system during MD run of 6nsec, but not in the system of liquid crystal molecules only, therfore the existence of polyacrylate has some influence on the behavior. We obtained the same tendency as experimental results, in which liquid crystal molecules lie parallel to interface in PMA/5CB whereas give a tilt angle of about 30° in PLA/5CB. We have calculated the distribution of orientational order parameter along the axis perpendicular to the interface. This study was carried out as ASET project supported by NEDO.
日本液晶学会の論文
1999-09-28