物理化学学报 >> 1998, Vol. 14 >> Issue (05): 407-412.doi: 10.3866/PKU.WHXB19980505

研究论文 上一篇    下一篇

链烷烃的内压与分子连通指数

张国政, 英徐根, 刘国杰   

  1. 华东理工大学化学系,上海 200237
  • 收稿日期:1997-08-14 修回日期:1997-11-26 发布日期:1998-05-15

Internal Pressure and Molecular Connectivity Indices for Alkanes

Zhang Guo-Zheng, Ying Xu-Gen, Liu Guo-Jie   

  1. Department of Chemistry,East China University of Science and Technology,Shanghai 200237
  • Received:1997-08-14 Revised:1997-11-26 Published:1998-05-15

摘要:

测定了2-甲基戊烷、3-甲基戊烷和正乙烷在293.15-318.15K温度范围的热压力系数.一个根据对应状态原理建立的模型被用来描述链烷烃的内压,它们的模型参数能很好地用分子连通指数关联.用这种方法能预测各种链烷烃从三相点到临界点广阔温度范围的内压.

关键词: 链烷烃, 内压, 分子连通指数

Abstract:

The thermal pressure coefficients of 2-methylpentanwe,3-methylpentane and n-hexane over the temperature range of 293.15318.15K have been measured. A model based on correspending state principle is used to describe internal pressures of alkanes .The parameters of the model are well correlated with molecular connectivity indices. It is shown that this method can be used to predict internal pressures of various alkanes over wide temperature range from triple point to critical point.

Key words: Alkane, Internal pressure, Molecular connectivity indices