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Optimal Cell Approach to Osmotic Properties of Finite Stiff-Chain Polyelectrolytes

机译:有限链刚性聚电解质渗透性能的最佳细胞方法

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摘要

We propose a self-consistent geometry optimized cell model approach to study osmotic properties of stiff-chain polyelectrolyte solutions. In contrast with the usual monotonic Poisson-Boltzmann prediction, the cell model predicts the correct nonmonotonic dependence of the osmotic coefficient on concentration. A lower degree of polymerization is found to reduce significantly the counterion condensation in a typical dilute strong polyelectrolyte. The results agree quantitatively with simulations of a corresponding many-body bulk system up to a dense semidilute regime.
机译:我们提出了一种自洽几何优化的细胞模型方法,以研究硬链聚电解质溶液的渗透性能。与通常的单调Poisson-Boltzmann预测相反,细胞模型预测了渗透系数对浓度的正确非单调依赖性。发现较低的聚合度可显着减少典型的稀强聚电解质中的抗衡离子缩合。结果与在稠密半稀释状态下的相应多体体积系统的仿真定量地吻合。

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