Strongly charged flexible polyelectrolytes in poor solvents-from stable spheres to necklace chains
Strongly charged flexible polyelectrolytes in poor solvents-from stable spheres to necklace chains
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DOI：
10.1209/epl/i2000-00133-6
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发表时间：
2000-01-01
期刊：
影响因子：
--
通讯作者：
Kremer, K
中科院分区：
文献类型：
--
作者：
Micka, U;Kremer, K
我们提出了第一套分子动力学（MD）模拟解决方案的强带电！在贫溶剂中的无盐双链与明确的抗衡离子。作为浓度的函数的政权从占主导地位的静电相互作用强屏蔽覆盖。构象从强烈拉伸的杆到孤立的、稳定的塌缩链，包括反式缩合。
We present a first set of molecular dynamics (MD) simulations of solutions of strongly charged! salt-free polyelectrolyte chains in poor solvent with explicit counterions. As a function of concentration the regime from dominating electrostatic interaction to strong screening is covered. The conformations vary from strongly stretched rods to isolated, stable collapsed chains involving; counterion condensation.