MONTE-CARLO STUDIES OF DENDRIMER MACROMOLECULES

被引:302
作者
MANSFIELD, ML
KLUSHIN, LI
机构
[1] Michigan Molecular Institute, Midland, Michigan 48640
关键词
D O I
10.1021/ma00068a029
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Monte Carlo calculations on a set of diamond-lattice model dendrimers are reported. Equilibrium results through nine generations have been obtained, where the spacer in each generation is a seven-step walk on the lattice. We report data on radius of gyration, principal moments of inertia, chain extension, radial density profiles, and molecular scattering structure factors. We find that terminal groups are dispersed throughout the molecule, that spacers near the core are extended, and that the later generation dendrimers exhibit some hollowness.
引用
收藏
页码:4262 / 4268
页数:7
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