화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2019년 봄 (04/10 ~ 04/12, 부산컨벤션센터(BEXCO))
권호 44권 1호
발표분야 고분자구조 및 물성
제목 Conformational behavior of dendronized polymers : A Molecular Dynamics simulation approach
초록 Dendronized polymer is a type of molecular brush that has dendritic side chains as its repeat units. We present numerical results for the induced persistence length (lp) and cross-sectional thickness (D) of dendronized polymers under good solvent conditions by using Molecular Dynamics simulation (MD). These properties are investigated as a function of the DP of side chain (N), the number of monomer units in the longest elastic path in a side chain (P) and separation between neighboring grafting points along the backbone (h). The investigated properties were compared to mean-field theory that predicts that dendronized polymers are similar to semi-rigid polymers. Under good-solvent conditions, the results indicated that induced persistence length is not affected by architecture of sidechain but by DP of side chain and grafting density. However, architecture of sidechain is an important factor affecting the cross-sectional thickness.
저자 박지훈, 방준하, 허준
소속 고려대
키워드 Molecular Dynamics simulation; Dendronized Polymer; Persistence Length
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