Discrimination between linear and non-linear models describing retention data of alkylbenzenes in gas-chromatography |
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Authors: | K Héberger |
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Institution: | (1) Max-Planck-Institut für Strömungsforschung, Bunsenstr. 10, D-3400 Göttingen, FRG;(2) Present address: Central Research Institute for Chemistry of the Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary |
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Abstract: | Summary Detailed statistical analysis is presented to describe the retention indices of alkylbenzenes as a function of their physical (boiling point, modrefraction) and topological (connectivity and complexity indices) properties. With the help of several statistical characteristics (examination of residuals, F test, partial F test, termination criteria, correlation indices) a discrimination is made among different models. A nonlinear equation was chosen which describes the retention data on slightly polar phases with the practically attainable precision. A comparison with literature sources shows that this equation provides the smallest residual error and, hence, it can be applied for prediction purposes. A correlation was found between the preexponential factor in the simple exponential model and the polarity of stationary phases on the Tarján scale. |
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Keywords: | Gas-chromatography Quantitative structure-retention relationships Ková ts retention index Alkylaromatics |
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