Dense Gases, Liquids and Solids

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课程大纲

The Configuration Integral
Thermodynamic Stability
The radial distribution function, thermodynamic properties, and MD simulations of liquid properties
Crystalline Solids

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Course 4 of Statistical Thermodynamics addresses dense gases, liquids, and solids. As the density of a gas is increased, intermolecular forces begin to affect behavior. For small departures from ideal gas behavior, known as the dense gas limit, one can estimate the change in properties using the concept of a configuration integral, a modification to the partition function. This leads to the development of equations of state that are expansions in density from the ideal gas limit. Inter molecular potential energy functions are introduced and it is explored how they impact P-V-T behavior. As the density is increased, there is a transition to the liquid state. We explore whether this transition is smooth or abrupt by examining the stability of a thermodynamic system to small perturbations. We then present a brief discussion regarding the determination of the thermodynamic properties of liquids using concept of the radial distribution function (RDF), and how the function relates to thermodynamic properties. Finally, we explore two simple models of crystalline solids.

稠密的气体,液体和固体:统计热力学的课程4处理稠密的气体,液体和固体。随着气体密度的增加,分子间作用力开始影响行为。对于偏离理想气体行为(称为稠密气体极限)的微小偏差,可以使用配置积分的概念(对分配函数的一种修改)来估计属性的变化。这导致状态方程的发展,即密度从理想气体极限值开始扩展。介绍了分子间势能函数,并探讨了它们如何影响P-V-T行为。随着密度的增加,过渡到液态。通过检查热力学系统对小扰动的稳定性,我们探索了这种转变是平稳还是突然的。然后,我们对使用径向分布函数(RDF)概念确定液体的热力学性质以及该函数与热力学性质的关系进行简要讨论。最后,我们探索了两个简单的结晶固体模型。

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