分子聚集型维里状态方程(聚集硬球分子模型)

A VIRIAL EQUATION OF STATE FOR MOLECULAR AGGREGATION (MODEL FOR AGGREGATED HARD SPHERICAL MOLECULES)

一、引言 我们知道,物性数据的来源,除了用实验测定外,一个很重要的手段是用状态方程进行推算。当前有一趋势,当计算精度满足要求的条件下,希望状态方程结构简单,使用方便,我们认为维里方程是值得研究开发的。现已发表的维里方程还远不能满足工程计算要求。本文应用分子聚集理论对已提出的简单维里方程作了改进,目的是要扩大其应用范围,特别是对强极性物质的应用。

In this paper, we propose a virial equation of state, derived by statistical mechanics method and modified by the theory of molecular aggregation. The test results show that the proposed equation has highly calculating accuracy, for example, we have calculated the volume data of saturated vapors of some strongly polar substances, giving quite satisfactory results.