화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2019년 봄 (04/24 ~ 04/26, 제주국제컨벤션센터)
권호 25권 1호, p.39
발표분야 고분자(Polymer)
제목 Molecular dynamics simulation for several block copolymer Self-Assembly system
초록 In this study, the Self-assembly behavior of several block copolymer could be developed by Molecular Dynamics(MD) simulation. To put Molecular Dynamics briefly, it uses Newtonian equation of motion. The force consists of bond force, angle force, dihedral force, pair force, etc. After calculating force, Molecular dynamics needs initial momentum and position. With this, we can compute updated momentum and position via Newtonian equation of motion. By using molecular dynamics, the trajectory of block copolymer self-assembly can be obtained and the topology of equilibrium state of self-assembly can be acquired. The Topology of several block copolymer shifts when the portion of block copolymer changes or when the force between monomers change. Those contents will be described in this study.
저자 남정용, 이원보
소속 서울대
키워드 고분자
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