Abstract
Scores of gas chromatograms of complex nonpolar mixtures were simulated on nonpolar stationary phases with commercial software. The mixtures included petroleum, alkanes, pesticides, flavors and fragrances, drugs, volatiles, industrial solvents, phenoxy acids, semivolatiles, C-, N-, and S-containing polynuclear aromatic hydrocarbons, Arochlors, and polychlorinated biphenyls, naphthalenes, dibenzo- p-dioxins, and dibenzofurans. With commercial software, the retention times of mixture components were calculated from Kováts retention indices, and the standard deviations of single-component peaks were calculated from the modified Golay–Giddings equation. These peak parameters then were used to predict the numbers of peaks expected in the chromatograms, using laboratory software based on the point-process statistical theory of overlap and the Poisson distribution. In most cases, the predictions agreed very well with the numbers of peaks found in chromatograms simulated with the peak parameters. This agreement verified that the interval between successive single-component peaks in most gas chromatograms of complex nonpolar mixtures developed on nonpolar stationary phases can be represented by a random variable. Statistical-overlap theory can be applied to such chromatograms.
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