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This paper presents an extension of a previous investigation in which the behavior of nonpolar compounds in temperature-programmed
gas chromatographic runs was predicted using thermodynamic (entropy and enthalpy) parameters derived from isothermal runs.
In a similar manner, entropy and enthalpy parameters were determined for a Grob standard mixture of compounds with widely
varying chemical characteristics. These parameters were used to predict the retention times and chromatographic behaviors
of the compounds on four gas chromatography capillary columns: three that had phenyl-based stationary phases (with degrees
of substitution of 0%, 5% and 50%) and one with (50%) cyanopropyl substitution. The predictions matched data empirically obtained
from temperature-programmed chromatographic runs for all of the compounds extremely well, despite the wide variations in polarity
of both the compounds and stationary phases. Thus, the results indicate that such simulations could greatly reduce the time
and material costs of chromatographic optimizations. 相似文献