Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes
Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes
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DOI：
10.1021/acs.jpclett.8b00606
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发表时间：
2018-04-19
影响因子：
5.7
通讯作者：
Levesque, Maximilien
中科院分区：
文献类型：
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作者：
Belloni, Luc;Borgis, Daniel;Levesque, Maximilien
最近在二次谐波散射实验中观察到并通过大规模分子动力学模拟进行说明的离子诱导的水分子之间的长程取向顺序使用液体物理学的 Ornstein Zernike 积分方程方法进行了定量解释。这种一般效应并非氢键溶剂特有的，而是由电中性条件、偶极相互作用和介电+离子屏蔽控制。正如预期的那样，所有数值理论都恢复了 40 年前建立的众所周知的解析表达式。
The ion-induced long-range orientational order between water molecules recently observed in second harmonic scattering experiments and illustrated with large scale molecular dynamics simulations is quantitatively explained using the Ornstein Zernike integral equation approach of liquid physics. This general effect, not specific to hydrogen-bonding solvents, is controlled by electroneutrality conditions, dipolar interactions, and dielectric+ionic screening. As expected, all numerical theories recover the well-known analytical expressions established 40 years ago.