用键参数函数法研究卤代甲烷的热力学性质

A study of thermodynamic properties of halogenated methane by the method of chemical bond parameter function

根据键长、电负性与化合物性质的联系构建了两个新的键参数X、B,用键参数X,B与70种卤代甲烷的标准生成焓、标准吉布斯自由能、标准熵、等压热容等热力学性质进行关联(采用SPSS13.0软件处理数据);结果表明:该法所得预测值准确,具有计算简单,相关性好等显著特点,有一定的推广应用价值.

According to bond length, electronegativity associated with the compound property, the passage constructs two new key parameters of the X,B, the key parameter X, B are correlated with 70 kinds of halogenated Methane standard enthalpy of formation, standard Gibbs free energy, standard entropy, heat capacity at constant pressure of the thermodynamic properties （This paper processes data with SPSS13.0）. The results show that this method has the advantages of simple-calculation and good-relationship, and has good value for extension and application.