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本文根据分子结构的特点,借助图论探讨了正烯烃的沸点与分子结构的关系,提出了一个具有一定结构基础的定量关系。对40种正烯烃的计算结果表明,沸点计算值都接近实验值,平均误差仅0.054%。
According to the characteristics of molecular structure, this paper discusses the relationship between the boiling point of n-alkene and the molecular structure by means of graph theory and proposes a quantitative relationship with a certain structural basis. The calculation results of 40 n-olefins showed that the calculated boiling points are close to the experimental values, with an average error of only 0.054%.