화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2020년 가을 (10/05 ~ 10/08, 부산컨벤션센터(BEXCO))
권호 45권 1호
발표분야 대학원생 구두발표 (발표15분)
제목 Dissipative Particle Dynamics simulation of self-assembly of thin film of diblock copolymers and nanoparticles under soft confinement.
초록 Self-assembly behavior of thin film of diblock copolymers and nanoparticles studied using DPD simulation. Two types of diblock copolymer are considered: coil-coil and rod-coil. Nanoparticles are modeled from fcc with a shape close to the sphere. To model the soft confinement, two different repulsive beads are introduced on the top and bottom of thin film of diblock copolymers and nanoparticles. Self-assembled structure is lamellar phase in the case of coil-coil polymer and smectic lamellar phase in the case of rod-coil polymer by using one bead fraction value as 0.4~0.6. We found the positions of nanoparticles within the thin film are changed as functions of nanoparticles size and diblock copolymer types. We also found relative interaction between nanoparticle and diblock copolymer affects the position of nanoparticles within the thin film. The significance of this study is to open the possibility of like solving the system like air-liquid interface problems using soft confinement.
저자 남정용1, 김용주2, 이원보1
소속 1서울대, 2국민대
키워드 DPD; self-assembly; diblock copolymer; nanoparticle; soft confinement
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