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Updated: Aug 18, 2026

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Published on: May 25, 2021
Theoretical analysis of the retention behavior of alcohols in gas chromatography
Yuanzhi Song1, Jianfeng Zhou, Sanjun Zi
1Department of Chemistry, Huaiyin Teachers College, Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Huaian 223300, People's Republic of China. songyuanzhi@sina.com
Abstract:
Quantitative structure-retention relationship (QSRR) models for the chromatographic (GC) retention times of alcohols on Superox 20M-diglycerol polarity stationary phase have been developed. Semi-empirical quantum chemical method (AM1) in MOPAC and Hartree-Fock (HF) method in Gaussian 98 implemented were employed to calculate a set of molecular descriptors of alcohols and ethyl acetate. Using multiple linear regression (MLR), we obtained the empirical functions with high correlation coefficient between retention times and quantum-chemical descriptors. The retention mechanism of alcohols of separation operating in the gas chromatogram was discussed. The results indicated that the QSRR models proposed were satisfactory.
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