基于Abraham模型估算有机物表面张力

Estimation of organic compounds surface tension based on Abraham model

根据线性溶剂化能量关系理论和经验方程,提出了在不同温度下估算纯有机物液体表面张力(σ)的关联式。利用所得关联式对2628个纯组分体系中的10个同系物进行了回归,得到了σ的关联方程,并对方程的相关性和外推适用性进行考察。实验结果表明,8个关联方程中各参数与σ的相关系数都达良好级以上,平均相对偏差均低于5%,方程适用性良好,并具有良好的普适性,可为纯有机物σ的计算提供一种可靠的方法。

Based on the theory of linear solvation energy relationship and empirical equations,the correlations of estimating the surface tension(σ)of pure organic liquids at different temperatures were proposed.Ten homologues in 2628 pure component systems were regressed using these correlations and correlation equation ofσwas obtained,and its relevance and applicability were examined.The result shows that the correlation coefficients between the parameters and theσin the eight correlation equations are all above good grades,and the average relative deviation values are all less than 5%.Besides,the equation has good universality,high estimation accuracy,and a wide range of applications,which has provided an alternative method for calculating theσof pure organic compounds.