Department of Analytical Chemistry, Stockholm University, 106 91 Stockholm, Sweden.
Anal Bioanal Chem. 2011 Jan;399(3):1335-45. doi: 10.1007/s00216-010-4418-9. Epub 2010 Nov 30.
The gas chromatographic behavior of selected linear and non-linear alcohols and amines was investigated using four capillary columns containing phenyl substitution levels of 0%, 5%, and 50% and 50% cyanopropyl substitution. In a previous study, the positions of specific compounds inside the capillary column were iteratively modeled using only two thermodynamic parameters (ΔH and ΔS). The present study addresses the validation of the two-parameter model for retention time prediction for selected alcohols and amines using thermodynamic data obtained from as few as two data points. The difference between predicted and observed retention times under different temperature conditions was generally less than 1% of the experimental value and the predicted order of elution was correct in the used model.
研究了四种含有苯基取代度为 0%、5%和 50%以及 50%氰丙基取代度的毛细管柱中选定的线性和非线性醇和胺的气相色谱行为。在以前的研究中,仅使用两个热力学参数(ΔH 和 ΔS)对毛细管柱内特定化合物的位置进行了迭代建模。本研究使用从两个数据点获得的热力学数据验证了用于保留时间预测的双参数模型对于选定的醇和胺的适用性。在不同温度条件下,预测和观察到的保留时间之间的差异通常小于实验值的 1%,并且在使用的模型中,洗脱的预测顺序是正确的。