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通过对 2 5 7种有机物临界体积的回归 ,建立了一种新的基团贡献法。其计算结果与实验值的平均偏差小于文献报道的其它基团贡献法。此法亦能用来预测长碳链的直链烷烃和烷基酮的临界体积。
By regressing the critical volume of 257 organic compounds, a new group contribution method was established. The average deviation between the calculated and experimental values is less than the other group contribution methods reported in the literature. This method can also be used to predict the critical volume of linear alkanes and alkyl ketones in long carbon chains.