화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2015년 가을 (10/06 ~ 10/08, 대구컨벤션센터(EXCO))
권호 40권 2호
발표분야 고분자구조 및 물성
제목 The effect of copolymers on the interface in incompatible homopolymer blend : Molecular dynamics study
초록 Using molecular dynamics simulations the effect of different shapes of copolymer, block- and graft-copolymers, as compatibilizer on regulating the interfacial properties at the interface of thermodynamically unfavorable homopolymer blend is studied with different weight percent of copolymers. To calculate the interfacial tension directly we have calculated local pressure tensor along the axis perpendicular to interface using Irving-Kirkwood, Hardy stress tensor. Our simulation show that the graft copolymers reduce interfacial tension more efficiently than block copolymers in strong segregation regiem. Also we have examined the effect of stiffness of subchain of copolymers consisting of only A beads with varying bending potential energy of one part of copolymer chain. The Kremer and Grest coarse grained model is used for describing our polymer system with Weeks-Chandler-Andersen (WCA) and finite extensible nonlinear elastic (FENE) potentials.
저자 이원보1, 유지호2
소속 1서울대, 2서강대
키워드 polymer; interface; copolymer
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