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Experimental and theoretical studies...

Liljegren, Jennifer A.

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Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds./
Author:	Liljegren, Jennifer A.
Description:	233 p.
Notes:	Source: Dissertation Abstracts International, Volume: 75-03(E), Section: B.
Contained By:	Dissertation Abstracts International75-03B(E).
Subject:	Atmospheric Chemistry. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3602969
ISBN:	9781303566738

Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds.
Liljegren, Jennifer A.

Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds. - 233 p.

Source: Dissertation Abstracts International, Volume: 75-03(E), Section: B.

Thesis (Ph.D.)--Indiana University, 2013.

This research investigates the kinetics of the hydroxyl radical (OH)-initiated oxidation of several volatile organic compounds (VOCs) including ethanol, 3-methylfuran, and methyl ethyl ketone (2-butanone). Oxidation by OH is the dominant loss process for many biogenic and anthropogenic VOCs, making ambient concentrations of OH and the rate constants of OH + VOC reactions useful for determining the lifetime of various VOCs in the atmosphere. The rate constants of OH + VOC reactions are important for improving the accuracy of input parameters used in urban and regional air quality models which can be used to inform the development of air quality control strategies. The absolute rate constants for the reaction of OH with ethanol, 3- methylfuran, and methyl ethyl ketone (2-butanone) and, in some cases, their deuterated isotopomers have been measured as a function of pressure and temperature using discharge-flow techniques coupled with laser-induced fluorescence detection of OH. Theoretical studies of the potential energy surface for the various pathways in the OH + ethanol and OH + methyl ethyl ketone (2-butanone) reactions indicate a mechanism involving hydrogen-abstraction through a hydrogen-bonded pre-reactive complex. The experimental measurements of the rate constants and the kinetic isotope effect have been used in conjunction with the results of the theoretical studies to improve our understanding of the kinetics of these reactions.

ISBN: 9781303566738Subjects--Topical Terms:

1669583
Atmospheric Chemistry.

Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds.
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020 $a 9781303566738
035 $a (MiAaPQ)AAI3602969
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100 1 $a Liljegren, Jennifer A. $3 2104701
245 1 0 $a Experimental and theoretical studies of the kinetics of the hydroxyl radical (OH)-initiated oxidation of volatile organic compounds.
300 $a 233 p.
500 $a Source: Dissertation Abstracts International, Volume: 75-03(E), Section: B.
500 $a Adviser: Philip S. Stevens.
502 $a Thesis (Ph.D.)--Indiana University, 2013.
520 $a This research investigates the kinetics of the hydroxyl radical (OH)-initiated oxidation of several volatile organic compounds (VOCs) including ethanol, 3-methylfuran, and methyl ethyl ketone (2-butanone). Oxidation by OH is the dominant loss process for many biogenic and anthropogenic VOCs, making ambient concentrations of OH and the rate constants of OH + VOC reactions useful for determining the lifetime of various VOCs in the atmosphere. The rate constants of OH + VOC reactions are important for improving the accuracy of input parameters used in urban and regional air quality models which can be used to inform the development of air quality control strategies. The absolute rate constants for the reaction of OH with ethanol, 3- methylfuran, and methyl ethyl ketone (2-butanone) and, in some cases, their deuterated isotopomers have been measured as a function of pressure and temperature using discharge-flow techniques coupled with laser-induced fluorescence detection of OH. Theoretical studies of the potential energy surface for the various pathways in the OH + ethanol and OH + methyl ethyl ketone (2-butanone) reactions indicate a mechanism involving hydrogen-abstraction through a hydrogen-bonded pre-reactive complex. The experimental measurements of the rate constants and the kinetic isotope effect have been used in conjunction with the results of the theoretical studies to improve our understanding of the kinetics of these reactions.
590 $a School code: 0093.
650 4 $a Atmospheric Chemistry. $3 1669583
650 4 $a Environmental Sciences. $3 676987
650 4 $a Chemistry, General. $3 1021807
690 $a 0371
690 $a 0768
690 $a 0485
710 2 $a Indiana University. $b Environmental Science. $3 1269380
773 0 $t Dissertation Abstracts International $g 75-03B(E).
790 $a 0093
791 $a Ph.D.
792 $a 2013
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3602969