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首页> 外文期刊>Physica, A. Statistical mechanics and its applications >A method to extract potentials from the temperature dependence of Langmuir constants for clathrate-hydrates
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A method to extract potentials from the temperature dependence of Langmuir constants for clathrate-hydrates

机译:从笼形水合物的朗缪尔常数的温度依赖性中提取电位的方法

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It is shown that the temperature dependence of Langmuir constants contains all the information needed to determine spherically averaged intermolecular potentials. An analytical "inversion" method based on the standard statistical model of van der Waals and Platteeuw is presented which extracts cell potentials directly from experimental data. The method is applied to ethane and cyclopropane clathrate-hydrates, and the resulting potentials are much simpler and more meaningful than those obtained by the usual method of numerical fitting with Kihara potentials. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 36]
机译:结果表明,朗格缪尔常数的温度依赖性包含确定球形平均分子间电势所需的所有信息。提出了一种基于范德华兹和普拉特约夫标准统计模型的分析“反演”方法,该方法可直接从实验数据中提取细胞电位。该方法适用于乙烷和环丙烷笼形水合物,所产生的电势比通过通常的用Kihara势进行数值拟合的方法获得的电势要简单得多,也更有意义。 (C)2001 Elsevier Science B.V.保留所有权利。 [参考:36]

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