ABSTRACT

The rotational motion of molecules in the liquid phase has been shown to be one of the main factor that determines the liquid’s thermal expansion and can be used for its calculation based on an expression for the partition function of the rotational motion of ideal gas molecules, taking into account the contribution of intermolecular interactions. This study establishes that the thermal expansion temperature coefficients are grouped in sequences depending on the functional class of compounds. The general hydrocarbon sequence breaks down into separate sequences according to their functional groups, such as saturated or aromatic hydrocarbons. Thus, it is shown a correlation between the thermal expansion of liquids with an average size of molecules, at temperatures well below the boiling point, and the entropy of the rotational motion which is a function of the moments of inertia of molecules and temperature.

摘要

液相中分子的旋转运动已被证明是决定液体热膨胀的主要因素之一，可用于基于理想气体分子旋转运动的配分函数表达式的计算，取考虑分子间相互作用的贡献。该研究表明，热膨胀温度系数根据化合物的功能类别按顺序分组。一般的烃序列根据它们的官能团分解成单独的序列，例如饱和烃或芳香烃。因此，它显示了在远低于沸点的温度下，液体的热膨胀与平均分子大小之间的相关性，