Simulation of lattice dendrimers by a Monte Carlo technique with detailed balance

被引:41
|
作者
Mansfeld, ML [1 ]
Jeong, M
机构
[1] Stevens Inst Technol, Dept Chem & Chem Biol, Hoboken, NJ 07030 USA
[2] Stevens Inst Technol, Dept Chem Biochem & Mat Engn, Hoboken, NJ 07030 USA
关键词
D O I
10.1021/ma012229k
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
We have published extensively on a late dendrimer model whose properties were simulated by a Monte Carlo technique. However, it leas recently been pointed out that the simulation technique violated detailed balance and that the ensuing errors, at least for endrimers without excluded volume, were relatively lore. In this contribution we show how the technique can lee efficiently modified to satisfy detailed balance, and we report results on dendrimers as high as G = 11. Wen applied to dendrimers with excluded volume, we find that the older technique generates only relatively small errors, and we are therefore confident that our previous results are qualitatively valid. We also discuss our model in light of recent neutron scattering studies concerned with the distribution vend groups.
引用
收藏
页码:9794 / 9798
页数:5
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