Santiuste José M, Tarján Géza, Ullrich Ede, Takács József M
Instituto de Química Física Rocasolano, CSIC, Department of Structure and Molecular Dynamics, C. Serrano 119, 28006 Madrid, Spain.
J Chromatogr A. 2008 Feb 15;1181(1-2):103-15. doi: 10.1016/j.chroma.2007.12.025. Epub 2008 Jan 16.
Programmed temperature retention indices (PTRIs) calculated according to the equations of Van den Dool and Kratz, Golovnya and Uraletz, and Erdey et al. (also referred to as Antoine's integrated equation) are used in this work. Precalculation of isotherm retention indices from the results of a linearly programmed temperature GC is also presented. Deviations between experimental and calculated isothermal retention indices are below 2 retention index units. A relative "volatility" retention index is defined, as a function of the "volatilities"of the solute and the bracket reference n-alkanes. The comparison of the "volatility" retention indices with the PTRIs obtained with the other above equations shows absolute deviations of up to 4 retention index units. Based on an earlier "equivalent" temperature concept and on Tekler's proviso, a novel way for the utilization of Sadtler's retention index database, which takes advantage of the 3 data supplied by the library, is proposed.
根据范登杜尔和克拉茨、戈洛尼亚和乌拉列茨以及埃尔德伊等人的方程（也称为安托万积分方程）计算的程序升温保留指数（PTRIs）用于本研究。还介绍了根据线性程序升温气相色谱结果对等温保留指数进行的预计算。实验等温保留指数与计算值之间的偏差低于2个保留指数单位。定义了一个相对“挥发性”保留指数，它是溶质和括号内参考正构烷烃“挥发性”的函数。将“挥发性”保留指数与用上述其他方程获得的PTRIs进行比较，结果表明绝对偏差高达4个保留指数单位。基于早期的“等效”温度概念和特克勒的条件，提出了一种利用萨德勒保留指数数据库的新方法，该方法利用了库中提供的3种数据。
