体积模量以摩尔斯势相互作用的分布函数为基础

Marwan Al-Raeei
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引用次数: 12

摘要

体积模量是研究材料在体积情况下的可压缩特性的一个重要系数。体积模量可以通过测量弹性参数的实验方法确定,也可以通过从状态方程出发的半经验程序确定,或者从积分方程理论中的理论图像确定。在这项工作中,我们发现了摩尔斯相互作用势的体积模量采用傅里叶变换和摩尔斯相互作用的平均球面近似的关系。我们发现摩尔斯势的体积模量由两项组成,一项来自动力学部分,另一项来自组成所述系统的粒子的内部相互作用。我们发现摩尔斯相互作用的体积模量取决于所描述的组分的绝对温度和紧化因子。此外,我们还发现由摩尔斯势导出的体积模量公式与系统中粒子的直径和摩尔斯相互作用参数有关。我们推导出的公式一般适用于振动情况下莫尔斯相互作用所描述的系统,如氯化氢和氟化氢分子。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Bulk modulus for Morse potential interaction with the distribution function based

The bulk modulus is a significant coefficient for the study of the compressible behaviour of the materials in the bulk case. The bulk moduli can be determined via the experimental method by measuring of the elastic parameters, via the semi-empirical procedures from the equation of state, or from theoretical images as in the theory of the integral equations. In this work we find a relationship of the bulk modulus for the Morse interaction potential employing the Fourier transformation and the mean-spherical approximation for the Morse interaction. We find that the bulk modulus of the Morse potential is composed of two terms, one from the kinetic part, and the other from the internal interaction of the particles composing the described-system. We find that the bulk modulus of the Morse interaction depends on the absolute temperature of the described composition and the compact factor. Besides, we find that the Bulk modulus formula which we derived of Morse potential, depends on the diameter of the particles in the system, and depends on the Morse interaction parameters. The formula which we derive is, in general, applied for the systems described by the Morse interaction in the vibrational case such as the hydrogen chloride and hydrogen fluoride molecules.

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