One three-site non-rigid model with two polar covalent bonds is proposed for electrolyte solvent; this model is integrated into the inhomogeneous electrolyte fluid classical density functional theory (CDFT) framework by means of the modified interfacial statistical association fluid theory. With the CDFT, we investigate surface electrostatic force (SEF) between two similarly charged planar surface and corresponding electrical double layer (EDL) in electrolyte dissolved in the model solvent. Novel properties of the EDL and SEF caused due to consideration of the model solvent are summarized as follows. (i) The EDL presents peculiar features: the solvent molecules are distributed in the slit far more uniformly than the counter-ions, adsorption of the former is less affected by the wall surface charge density strength, but increases with the site polarization charge strength and the counter-ion valence, whereas the counter-ion adsorption decreases with the counter-ion valence and ex...

中文翻译：

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非极性溶剂中电解质的两个固体表面之间的结构和有效静电力的统计力学研究

提出了一种具有两个极性共价键的三位非刚性模型。通过改进的界面统计缔合流体理论，将该模型集成到非均匀电解质流体经典密度泛函理论（CDFT）框架中。借助CDFT，我们研究了溶解在模型溶剂中的两个相似带电平面与相应双电层（EDL）之间的表面静电力（SEF）。由于模型溶剂的考虑而引起的EDL和SEF的新特性总结如下。（i）EDL具有独特的特征：溶剂分子在缝隙中的分布远比抗衡离子更均匀，前者的吸附受壁表面电荷密度强度的影响较小，