naa a22 4500 510738400 CHVBK 20180411083019.0 cr unu---uuuuu 180411e20131201xx s 000 0 eng 10.1007/s12127-013-0134-4 doi (NATIONALLICENCE)springer-10.1007/s12127-013-0134-4 Swanson David The Applied Research Laboratory, The Pennsylvania State University, PO Box 30, 16804, State College, PA, USA aut Quantitative ion mobility spectroscopy based on molecular collision rate theory [Elektronische Daten] [David Swanson] Atmospheric pressure chemical ionization and ion mobility spectrometry (IMS) have traditionally been viewed as a qualitative analytical technique for identifying specific chemicals in the atmosphere. This work employs a nonlinear model based on molecular collision rate theory for quantitative modeling of chemical analyte concentrations. The collision rate between any two molecules depends on the relative populations of each chemical species in the volume of air analyzed where most collisions between ions, or neutral molecules and ions, result in no charge transfer. The rate constants for formation of product ions and consumption of source ions are estimated using empirical data over a wide concentration range for several analytes and reagent gases. The rate constants are unique to the analyte and the reagent gas as well as the sensitivity of the particular IMS instrument and provide a quantitative model to relate the mobility peak amplitudes to the analyte concentration. The rate constants can also be normalized by the reaction ion consumption rate constant to remove the IMS instrument sensitivity and provide a qualitative metric for analyte identification independent of a particular IMS instrument. A quantitative example is given for an acetic acid plume measured by a hand-held IMS detector outdoors has the plume passes. The quantitative rate constants provide a reasonable basis for estimating analyte concentration from the ion mobility spectra over a wide range of analyte concentrations. Springer-Verlag Berlin Heidelberg, 2013 Ion nationallicence Mobility nationallicence Spectrometry nationallicence Quantitative nationallicence Rate nationallicence Collision nationallicence Atmosphere nationallicence Reagent nationallicence Plume nationallicence International Journal for Ion Mobility Spectrometry Springer Berlin Heidelberg 16/4(2013-12-01), 265-274 1435-6163 16:4<265 2013 16 12127 https://doi.org/10.1007/s12127-013-0134-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12127-013-0134-4 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Swanson David The Applied Research Laboratory, The Pennsylvania State University, PO Box 30, 16804, State College, PA, USA aut NATIONALLICENCE 773 0- International Journal for Ion Mobility Spectrometry Springer Berlin Heidelberg 16/4(2013-12-01), 265-274 1435-6163 16:4<265 2013 16 12127 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer