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聚电解质在介电同性带电表面吸附的模拟

Simulations of Polyelectrolyte Adsorption to a Dielectric Like-Charged Surface.

作者信息

Dos Santos Alexandre P, Girotto Matheus, Levin Yan

机构信息

Instituto de Física, Universidade Federal do Rio Grande do Sul , Caixa Postal 15051, CEP 91501-970 Porto Alegre, RS, Brazil.

出版信息

J Phys Chem B. 2016 Oct 6;120(39):10387-10393. doi: 10.1021/acs.jpcb.6b06002. Epub 2016 Sep 26.

Abstract

We explore, using the recently developed efficient Monte Carlo simulation method, the interaction of an anionic polyelectrolyte solution with a like-charged dielectric surface. In addition to polyions, the solution also contains salt with either monovalent, divalent, or trivalent counterions. In agreement with recent experimental observations, we find that multivalent counterions can lead to strong adsorption of polyions onto the surface. On the other hand, addition of a 1:1 electrolyte diminishes the adsorption induced by the multivalent counterions. Dielectric discontinuity at the interface is found to play only a marginal role in polyion adsorption.

摘要

我们使用最近开发的高效蒙特卡罗模拟方法,研究了阴离子聚电解质溶液与带相同电荷的介电表面之间的相互作用。除了聚离子外,溶液中还含有单价、二价或三价抗衡离子的盐。与最近的实验观察结果一致,我们发现多价抗衡离子可导致聚离子在表面上的强烈吸附。另一方面,添加1:1电解质会减少多价抗衡离子引起的吸附。发现界面处的介电不连续性在聚离子吸附中仅起次要作用。

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