GC x GC simulator calibration

CHED 206

Angela N. Smith, smithan05@juniata.edu, Allison M Gressick, gressam04@juniata.edu, and Paul D. Schettler, schettler@juniata.edu. Department of Chemistry, Juniata College, 1700 Moore Street, Huntingdon, PA 16652
Accurate computer simulation of GC X GC data depends on accurate calibration data. There are several options for calibration and this work focuses on the relative accuracy of these options. Our standard procedure is to use a 1D GC-MSD for calibration either in 1) isothermal mode at two different temperatures, or 2) ramped temperature programmed mode using two different ramps. A third, very attractive option, is to calibrate directly from GC X GC data. In this study we obtained and ranked the accuracy of each of these three procedures by calculating the standard deviation associated with simulated versus experimental GC X GC retention times for a linear 10 C/min ramp. Various standard calibration mixes were used for this work