Chemometric Resolution of Mixture Components by Cleardown Rates

Paul J. Rauch and Peter de B. Harrington*
Chemistry Department, Center for Intelligent Chemical Instrumentation, Clippinger Laboratories, Athens, Ohio 45701-2979
Dennis M. Davis
U.S. Army ERDEC, Aberdeen Proving Grounds, Maryland 21010-5432
Anal. Chem., 1998, 70 (4), pp 716–723
DOI: 10.1021/ac970625o
Publication Date (Web): January 21, 1998
Copyright © 1998 American Chemical Society

Abstract

Ion mobility spectrometry (IMS) has recently been gaining attention due to its low cost, light weight, durability, versatility, and portability. IMS combined with time series analysis (TSA) has proved useful for identification of individual chemical species. These methods require the vapor pressure concentration to vary independently with respect to time. When sampling vapors are obtained from liquid mixtures, the analyte vapor compositions may not vary independently. A vapor mixture may be resolved by differential cleardown rates in IMS instruments. Cleardown is the decay in analyte signal when the sample is removed from the instrument. If different mixture components exhibit different affinities in the instrument, then the concentration of the mixture components will vary independently during cleardown, and SIMPLISMA, a feature extraction method, may resolve the components. This approach is an example of reverse frontal chromatography for which the sample is introduced into the detector (the IMS) and removed chromatographically by adsorption onto the molecular sieves. In this research, mixtures of three nerve agent simulants are used to demonstrate this new data extraction method with SIMPLISMA.

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History

  • Published In Issue February 15, 1998
  • Received for review June 17, 1997. Accepted December 5, 1997.

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