应用WCA微扰理论推算非极性液体比热容的新方法

A New Method to Calculate Specific Heat Capacity of Nonpolar Liquids Using WCA Perturbation Theory

本文首次将统计热力学中的Ｗｅｅｋｓ－Ｃｈａｎｄｌｅｒ－Ａｎｄｅｒｓｏｎ（简称ＷＣＡ）微扰理论应用于非极性液体定容比热容和定压比热容的推算，用一些液体的ｐ－ｖ－Ｔ实验数据拟合了理论中所用ＬＪ势能函数的势能参数，并提出一个通用关联式。本文方法具有通用性，在编制的计算程序中只需输入物质的临界温度、临界比容、偏心因子等就能算出相应的比热容，工程应用十分方便。

A new method utilizing the WCA perturbation theory of statistical thermodynamics to calculate the specific heat capacity of nonpolar liquids is introduced. The potential energy parametera of L-J potential energy function of certain substances are simulated from liquid p-v-T experimental data by appling equation of state deduced from WCA perturbation theory. The specific heat capacity at constant volume and the specific heat capacity at constant pressure of liquids at a given state can then be calculated when the critical parameters T_C v_C and acentric factor are available. Although this method is not fit for direct calculation for its complexity,it is efficient, simple and practical in computerized calculation.