An investigation of gas chromatography with atomic emission detection for the determination of empirical formulas

✍ Scribed by Wylie, Philip L. ;Sullivan, James J. ;Quimby, Bruce D.

• Publisher: John Wiley and Sons
• Year: 1990
• Tongue: English
• Weight: 596 KB
• Volume: 13
• Category: Article
• ISSN: 0935-6304
• DOI: 10.1002/jhrc.1240130711

✦ Synopsis

Abstract

The atomic emission detector (AED) is a valuable tool for the identification of unknowns in complex mixtures. To the extent that elemental response factors are independent of compound structure, gas chromatographic results allow calculation of atomic ratios for unknown compounds. In favorable cases, empirical formulas can be found. An algorithm for automated calculation of empirical formulas for all the peaks in a chromatogram has been developed. When finite accuracy prevents an exact determination of empirical formulas, the algorithm gives a list of all formulas for each compound which are compatible with the user‐defined limits.

Examples are given of calculations for fatty acid methyl esters, substituted phenols, and pesticides. Analyses of volatile pollutants and polychlorinated biphenyls reveal a nonlinearity for hydrogen response, and an interference of chlorine on hydrogen. A lubricating oil analysis is used to illustrate the identification of unknowns.