PNNL

Abstract

A high-speed gas chromatography system, the gas chromatographic sensor (GCS), is developed and evaluated. The GCS combines fast separations and chemometric analysis to produce an instrument capable of high-speed, high-throughput screening and quantitative analysis of complex chemical mixtures on a similar time scale as typical chemical sensors. The GCS was evaluated with 28 test mixtures consisting of fifteen compounds from four chemical classes: alkanes, ketones, alkyl benzenes, and alcohols. The chromatograms are on the order of one second in duration, which is considerably faster than the traditional use of gas chromatography. Calibration models to predict percent volume content of either alkanes or ketones were constructed using partial least squares (PLS) regression on calibration sets consisting of the five replicate GCS runs of six different samples. The percent volume content of the alkane and ketone chemical classes were predicted on five replicate runs of the 22 remaining samples ranging from 0 to 50 or 60 percent depending on the class. Root mean square errors of prediction were two to three percent relative to the mean percent volume values for either alkane or ketone prediction models, depending on the samples chosen for the calibration set of that model. The alkyl benzenes and alcohols present in the calibration sets or samples were treated as variable background interference. It is anticipated that the GCS will eventually be used to rapidly sample and directly analyze industrial processes or for the high throughput analysis of batches of samples.