화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2004년 봄 (04/09 ~ 04/10, 고려대학교)
권호 29권 1호, p.58
발표분야 고분자 구조 및 물성
제목 Thin Film and Surface Properties of Polytetrafluoroethylene (PTFE) and Poly X-methacrylate (PXMA) Melt Systems from Molecular Dynamics Simulations
초록 Thin film of PTFE and several PXMA (X=methyl, ethyl, n-butyl and t-butyl) systems have been studied by molecular dynamics simulations using explicit atom models. For PTFE, we compared results of several force fields which are already developed in order to compare the validity of each force field. For PXMA, the origin of the strong influence of the alkyl substituents on the surface energies was investigated in terms of structural characteristics of the film surface.
저자 이상훈1, 장재언2, 정원희3, 윤도영1
소속 1서울대, 2Department of Chemical Engineering, 3Delaware Univ.
키워드 PTFE; PXMA; thin film; molecular dynamics; computer simulation
E-Mail