Molecular dynamics study of dendrimers: Structure and effective interaction
Molecular dynamics study of dendrimers: Structure and effective interaction
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DOI：
10.1021/ma030349h
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发表时间：
2004-05
期刊：
影响因子：
5.5
通讯作者：
T. Terao;T. Nakayama
中科院分区：
文献类型：
--
作者：
T. Terao;T. Nakayama
我们报道了对带电树枝状大分子和树枝状大分子星形聚合物结构形成的随机分子动力学模拟结果。回转半径的变化很好地解释了最近在不同pH条件下对高代带电树枝状大分子进行的小角中子散射实验。我们还阐明了树枝状大分子在水溶液中强弱静电偶合的有效相互作用的性质。
We report the results of stochastic molecular dynamics simulations for the structural formation of charged dendrimers and dendrimer-based star polymers. The variation in the radius of gyration explains quite well recent small-angle neutron-scattering experiments for higher-generation charged dendrimers under different pH conditions. We also clarify the properties of effective interaction between dendrimers for weak and strong electrostatic couplings in an aqueous solution.