Estimating diffusion coefficients for alkylbenzenes and alkylphenones in aqueous mixtures with acetonitrile and methanol.
Estimating diffusion coefficients for alkylbenzenes and alkylphenones in aqueous mixtures with acetonitrile and methanol.
复制标题
估算乙腈和甲醇水混合物中烷基苯和烷基苯酮的扩散系数。
DOI：
10.1021/ac961170q
复制
发表时间：
1997
影响因子：
7.4
通讯作者：
Carr,PW
中科院分区：
文献类型：
--
作者：
Li,J;Carr,PW
本文报道了各种经验近似法估算烷基苯和烷基苯酮在乙腈（ACN）/水和甲醇（MeOH）/水溶剂体系中扩散系数的准确性。这些溶质的扩散系数已被测量在很宽的范围内的溶剂组合物和温度。通过将测量值与溶质和溶剂参数相关联，开发了Wilke-Chang方法的一种新的经验修正。通过将计算的扩散系数与测量值进行比较，对相关性以及Wilke-Chang和Scheibel相关性进行了沿着检查。我们发现，所提出的关联式的百分误差不大于10%的ACN/水和MeOH/水系统，该关联式的准确性是2 - 3倍优于其他两个关联式。我们建议使用这种相关性与上述同源系列的溶质的反相液相色谱柱性能的评价。
The accuracy of various empirical approximation methods of estimating the diffusion coefficients of alkylbenzenes and alkylphenones in acetonitrile (ACN)/water and methanol (MeOH)/water solvent systems is reported. Diffusion coefficients for these solutes have been measured over a wide range of solvent compositions and temperatures. A novel empirical modification of the Wilke−Chang method has been developed by correlating measured values with solute and solvent parameters. The correlation, along with the Wilke−Chang and Scheibel correlations, was examined by comparing the computed diffusion coefficients with the measured values. We find that the percent errors of the proposed correlations are no greater than 10% for both ACN/water and MeOH/water systems and that the accuracy of the correlation is 2−3-fold better than those of the other two correlations. We recommend the use of this correlation with the above homologous series of solutes for the evaluation of column performance in reversed-phase liquid chromatography.