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根据分子中基团的特性和连续性,发展了一种计算液态烷基苯、烷基萘和烷基联苯密度的方法——基团键贡献法,该方法将基团贡献法和化学键贡献法有机地结合在一起,同时具有基团贡献法和化学键贡献法的特点。应用基团键贡献法对212种液态烷基苯、烷基萘和烷基联苯密度的计算结果表明,密度计算值与实验值之间的一致性令人满意,平均误差0.607％。
According to the characteristics and continuity of the groups in the molecule, a method for calculating the density of liquid alkylbenzenes, alkylnaphthalenes and alkylbiphenyls has been developed. The method of group bond contribution, which combines the group contribution method and the chemical bond contribution Law organically combined together, with the group contribution method and chemical bond contribution method characteristics. The calculation of the density of 212 liquid alkylbenzenes, alkylnaphthalenes and alkylbiphenyls using the group bond contribution method shows that the calculated values agree well with the experimental values, with an average error of 0.607%.