Castello G, Moretti P, Vezzani S
University of Genova, Dipartimento di Chimica e Chimica Industriale, Via Dodecaneso 31, Genova I-16146, Italy.
J Chromatogr A. 2009 Mar 6;1216(10):1607-23. doi: 10.1016/j.chroma.2008.11.049. Epub 2008 Nov 25.
The models proposed by many authors for the prediction of retention times and temperatures, peak widths, retention indices and separation numbers in programmed temperature and pressure gas chromatography by starting from preliminary measurements of the retention in isothermal and isobaric conditions are reviewed. Several articles showing the correlation between retention data and thermodynamic parameters and the determination of the optimum programming rate are reported. The columns of different polarity used for the experimental measurement and the main equations, mathematical models and calculation procedures are listed. An empirical approach was used in the early models, followed by the application of thermodynamic considerations, iterative calculation procedures and statistical methods, based on increased computing power now available. Multiple column arrangements, simultaneous temperature and pressure programming, applications of two-dimensional and fast chromatography are summarised.
综述了许多作者提出的模型，这些模型通过在等温等压条件下对保留时间进行初步测量，来预测程序升温及程序升压气相色谱中的保留时间、温度、峰宽、保留指数和分离数。报告了几篇展示保留数据与热力学参数之间相关性以及确定最佳程序升温速率的文章。列出了用于实验测量的不同极性的色谱柱以及主要方程、数学模型和计算程序。早期模型采用了经验方法，随后基于现有的计算能力提升，应用了热力学考量、迭代计算程序和统计方法。总结了多柱配置、同时程序升温和程序升压、二维色谱和快速色谱的应用。
