水分子在水中集体运动的模型

V.I. Jashkichev
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引用次数: 3

摘要

在我们的模型中,主要关注的是三维阵列的结构和形成它的分子的行为之间的相互关系。所选择的方法包括沿动力学单元分析分子平移的分布-动力学单元是由具有特定结构的不同数量的分子组成的阵列的部分。分析表明,基本的自扩散(翻译)行为主要具有集体性。这种分布是分子动力学最重要的特征之一。热力学性质也与它有关。
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A model of collective water molecule motion in water

In our model the main attention is paid to the interrelations of the structure of a three-dimensional array and the behaviour of the molecules forming it. The method chosen consists of the analysis of a distribution of a molecular translation along kinetic units - that is sections of the array made of various number of molecules with a certain structure. The analysis shows that elementary acts of self-diffusion (translation) are of a collective character in the main. Such a distribution is one of the most significant characteristics of the dynamics of molecules. Thermodynamic properties are also related to it.

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