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arXiv 1809.00191cond-mat.soft
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弱弯曲大离子的Debye-Hückel理论:通过复合Coloumb-Yukawa相互作用势实现离子特异性

Debye-Hückel Theory of Weakly Curved Macroions: Implementing Ion Specificity through a Composite Coloumb-Yukawa Interaction Potential

Bjorn K. Berntson, Rachel Downing, Guilherme Volpe Bossa, Sylvio May

摘要:

嵌入在对称的1:1电解质溶液中的弱弯曲的、孤立的大离子的自由能是基于线性Debye-Hückel理论计算的,从而解释了移动离子之间的非静电Yukawa对相互作用以及移动离子与大离子表面的非静电Yukawa对相互作用,除了静电库仑势之外。阴离子-阴离子、阳离子-阳离子和阴离子-阳离子对之间的Yukawa相互作用是彼此独立的,并且用作溶剂介导的离子特异性效应的模型。我们推导出一个平面表面的自由能,自发曲率,弯曲刚度和高斯模量的表达式。它示出的微扰扩展,有效的,如果汤川相互作用的整体自由能的一个小的贡献,产生简单的分析结果,表现出良好的协议与一般的自由能在实验相关的相互作用参数的范围内。

英文摘要:

The free energy of a weakly curved, isolated macroion embedded in a symmetric 1:1 electrolyte solution is calculated on the basis of linear Debye-Hückel theory, thereby accounting for non-electrostatic Yukawa pair interactions between the mobile ions and of the mobile ions with the macroion surface, present in addition to the electrostatic Coulomb potential. The Yukawa interactions between anion-anion, cation-cation, and anion-cation pairs are independent from each other and serve as a model for solvent-mediated ion-specific effects. We derive expressions for the free energy of a planar surface, the spontaneous curvature, the bending stiffness, and the Gaussian modulus. It is shown that a perturbation expansion, valid if the Yukawa interactions make a small contribution to the overall free energy, yields simple analytic results that exhibit good agreement with the general free energy over the range of experimentally relevant interaction parameters.

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