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首页> 外文期刊>The Journal of Chemical Physics >Limiting ionic conductivity and solvation dynamics in formamide
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Limiting ionic conductivity and solvation dynamics in formamide

机译:限制甲酰胺中的离子电导率和溶剂化动力学

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A self-consistent microscopic theory has been used to calculate the limiting ionic conductivity of unipositive rigid ions in formamide at different temperatures. The calculated results are found to be in good agreement with the experimental data. The above theory can also predict successfully the experimentally observed temperature dependence of total ionic conductivity of a given uniunivalent electrolyte in formamide. The effects of dynamic polar solvent response on ionic conductivity have been investigated by studying the time dependent progress of solvation of a polarity probe dissolved in formamide. The intermolecular vibration (libration) band that is often detected in the range of 100-200 cm(-1) in formamide is found to play an important role in determining both the conductivity and the ultrafast polar solvent response in formamide. The time dependent decay of polar solvation energy in formamide has been studied at three different temperatures, namely, at 283.15, 298.15, and 328.15 K. While the predicted decay at 298.15 K is in good agreement with the available experimental data, the calculated results at the other two temperatures should be tested against experiments. (c) 2006 American Institute of Physics.
机译:自洽显微镜理论已用于计算在不同温度下甲酰胺中单正刚性离子的极限离子电导率。计算结果与实验数据吻合良好。上述理论还可以成功预测在给定的单价电解质在甲酰胺中实验观察到的总离子电导率的温度依赖性。通过研究溶解在甲酰胺中的极性探针的溶解时间随时间的变化,研究了动态极性溶剂响应对离子电导率的影响。发现在甲酰胺中通常在100-200 cm(-1)范围内检测到的分子间振动(释放)带在确定电导率和甲酰胺中的超快极性溶剂响应中都起着重要作用。在三个不同的温度下,即283.15、298.15和328.15 K,研究了甲酰胺中极性溶剂化能量随时间的衰减。尽管在298.15 K时预测的衰减与可用的实验数据非常吻合,但计算结果为其他两个温度应根据实验进行测试。 (c)2006年美国物理研究所。

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