Langevin dynamics simulation of counterion distribution around isolated flexible polyelectrolyte chains
Langevin dynamics simulation of counterion distribution around isolated flexible polyelectrolyte chains
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DOI：
10.1063/1.1476930
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发表时间：
2002-06-08
影响因子：
4.4
通讯作者：
Muthukumar, M
中科院分区：
文献类型：
--
作者：
Liu, S;Muthukumar, M
我们系统地研究了均匀带电的柔性碳链上的反凝聚的性质，通过监测反价，链长，温度和介电常数的作用，通过库仑强度参数，和系统的体积。还研究了聚合物的回转半径、单体和反离子的径向分布函数以及偶极的形成。我们的模拟结果表明，柔性粒子的反凝聚的本质特征与Manning理论有质的不同。(C)2002年美国物理学会。
We have investigated systematically the nature of counterion condensation on the uniformly charged flexible polyelectrolyte chain by monitoring the role of counterion valency, chain length, temperature, and dielectric constant through a Coulomb strength parameter, and volume of the system. Radius of gyration of the polymer, radial distribution functions of monomers and counterions, and formation of dipoles are also studied. Our simulations show that the essential features of counterion condensation for a flexible polyelectrolyte are qualitatively different from the Manning theory. (C) 2002 American Institute of Physics.