화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2017년 봄 (05/10 ~ 05/12, 광주 김대중컨벤센센터(Kimdaejung Convention Center))
권호 21권 1호
발표분야 고분자
제목 Molecular dynamic mechanisms of unentangled and entangled linear polyethylene melts in bulk and confined systems under shear flow
초록 Interfacial polymeric system shows distinct phenomenon from bulk polymeric system. Using NEMD simulation, structural and rheological properties of linear polymer in confined system are analyzed and compared to those in bulk system. Molecular dynamic mechanisms are classified into 3 regimes according to the applied flow strength. In 1st regime, both systems show chain alignment and extension to flow direction. In addition, wall-polymer interactions brings rotation and alignment of interfacial chains. In 2nd regime, S shape tumbling and disentanglements are initiated. And, competition of external flow field and wall interaction induces interfacial wagging and hairpin-like tumbling. In 3rd regime, interfacial polymers go through a hairpin-like tumbling in commonly with bulk polymers and strong flow field causes interfacial chains to collide with wall and to escape from the wall. These microscopic molecular behaviors are also demonstrated with macroscopic and mesoscopic properties.
저자 노은정, 백충기, 조수원, 정소담
소속 울산과학기술원
키워드 NEMD simulation; Confined system; Polymer Dynamics
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