分子的拓扑与饱和烷烃的溶解度参数

Molecular Topology and Solubility Parameterof Paraffins

本文提出了一个能从分子的拓扑指数确定饱和烷烃特性常数的方法,据此能够预测饱和烷烃从三相点到临界点广阔温度范围内的溶解度参数.预测的结果表明,计算值与实验值吻合很好.

The equation (1) established with a modified van der Waals' model in a previous paper can also be used to calculate solubility parameters of isomeric alkanes. A method of determining characteristic constants of paraffins from topological indexes is developed. The solubility parameters of paraffins can be predicted over a wide temperature range from the triple point to the critical point. The predicted results show that the consistency between calculated values and experimental values is excellent.