Aqueous solutions of divalent chlorides: Ions hydration shell and water structure

Bruni F.; Imberti S.; Mancinelli R.; Ricci M.A.

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Aqueous solutions of divalent chlorides: Ions hydration shell and water structure

机译：二价氯化物水溶液：离子水合壳和水结构

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By combining neutron diffraction and Monte Carlo simulations, we have determined the microscopic structure of the hydration ions shell in aqueous solutions of MgCl _2 and CaCl _2, along with the radial distribution functions of the solvent. In particular the hydration shell of the cations, show cation specific symmetry, due to the strong and directional interaction of ions and water oxygens. The ions and their hydration shells likely form molecular moieties and bring clear signatures in the water-water radial distribution functions. Apart from these signatures, the influence of divalent salts on the microscopic structure of water is similar to that of previously investigated monovalent solutes, and it is visible as a shift of the second peak of the oxygen-oxygen radial distribution function, caused by distortion of the hydrogen bond network of water.

机译：通过结合中子衍射和蒙特卡罗模拟，我们确定了MgCl _2和CaCl _2水溶液中水合离子壳的微观结构，以及溶剂的径向分布函数。尤其是阳离子的水合壳，由于离子与水氧的强烈和定向相互作用而显示出特定于阳离子的对称性。离子及其水合壳可能形成分子部分，并在水-水径向分布函数中产生清晰的特征。除了这些特征外，二价盐对水的微观结构的影响与先前研究的单价溶质相似，并且可以看到由于氧的畸变引起的氧-氧径向分布函数第二个峰的移动。水的氢键网络。

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《The Journal of Chemical Physics》 |2012年第6期|共7页
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Bruni F.; Imberti S.; Mancinelli R.; Ricci M.A.;
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1. Aqueous solutions of divalent chlorides: Ions hydration shell and water structure [J] . Bruni F., Imberti S., Mancinelli R., The Journal of Chemical Physics . 2012,第6期

机译：二价氯化物水溶液：离子水合壳和水结构
2. State of Hydration Shells of Sodium Chloride in Aqueous Solutions in a Wide Concentration Range at 273.15-373.15 K [J] . Afanasiev VN, Ustinov AN, Vashurina IY The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2009,第1期

机译：在273.15-373.15 K宽浓度范围内的水溶液中氯化钠水合壳的状态
3. Ion hydration in aqueous solutions of lithium chloride, nickel chloride, and caesium chloride in ambient to supercritical water [J] . Yamaguchi T, Ohzono H, Yamagami M, Journal of Molecular Liquids . 2010,第1期

机译：在室温至超临界水中，氯化锂，氯化镍和氯化铯水溶液中的离子水合
4. Solubility measurement and prediction of methane in sodium chloride aqueous solution containing gas hydrate [C] . B. D. Lim, J. E. Lee, Y. S. Kim, International Conference on Separation Science and Technology(ICSST'2007); 20071014-16; Beijing(CN) . 2007

机译：甲烷在含天然气水合物的氯化钠水溶液中的溶解度测量和预测
5. Hydration-shell spectroscopy of biologically relevant and organic aqueous solutions [D] . Fega, Kathryn Rebecca 2011

机译：生物相关和有机水溶液的水合壳光谱
6. NMR observation of individual molecules of hydration water bound to DNA duplexes: direct evidence for a spine of hydration water present in aqueous solution. [O] . E Liepinsh, G Otting, K Wüthrich 1992

机译：NMR观察结合到DNA双链体的水合水分子的分子：水溶液中存在水合水脊柱的直接证据。
7. Ion Hydration and Associated Defects in Hydrogen Bond Network of Water: Observation of Reorientationally Slow Water Molecules Beyond First Hydration Shell in Aqueous Solutions of MgCl$_2$ [O] . Baul, Upayan, Vemparala, Satyavani 2014

机译：水中氢键网络的离子水合作用及相关缺陷：超水合作用后反向缓慢水分子的观察在mgCl 2水溶液中的壳体$ _2 $

Aqueous solutions of divalent chlorides: Ions hydration shell and water structure

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