Abstract
If the gas chromatographic retention behavior of a substance is measured under isothermal conditions at multiple temperatures, it is possible to predict, with good accuracy, the retention behavior under temperature-programmed conditions. Several methods for performing this prediction exist, but they are limited by lengthy calculations, limited applicability, or by assumptions that degrade accuracy. A consideration of the thermodynamic parameters affecting retention, along with carrier gas flow characteristics, leads to a simulation approach that is computationally feasible and accurate. Such a method is presented in this work, along with the results for some simulations. It is shown that retention in multiple-segment temperature programs may be predicted from isothermal data, with errors ranging from 0.1–10%, depending upon the quality of the input data, and the complexity of the temperature program.
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