The influence of tetramethylammonium cation on hydration of Na
The influence of tetramethylammonium cation on hydration of Na
复制标题
四甲基铵阳离子对Na水合的影响
DOI：
10.1016/j.molliq.2003.12.003
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发表时间：
2004
影响因子：
6
通讯作者：
E. Hawlicka
中科院分区：
文献类型：
--
作者：
A. Kuba;E. Hawlicka
在298K下，对含有氯化钠和(CH_3)_4NCL两种盐的水溶液进行了分子动力学模拟。离子-氧和离子-氢的径向分布函数表明，TMA+的存在不影响Na+-水和Cl-−-水的分离，但会影响这两种离子的一些近邻。角分布函数表明，Na~+和Cl~+−的近邻取向更具随机性。分子在Na+和Cl−壳层中的停留时间比在一种盐溶液中的停留时间短得多。
MD simulations of aqueous solution containing two salts, NaCl and (CH3)4NCl, were performed at 298 K. Radial distribution functions for ion-oxygen and ion-hydrogen have shown that the presence of TMA+does not affect Na+–water and Cl−–water separations, but it affects a number of the nearest neighbors of both ions. Angular distribution functions have indicated that the orientations of the neighbors of Na+and Cl−are more random. Residence time of the molecules in the Na+and Cl−shells is significantly shorter than in solutions of one salt.