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Monitoring and evaluation of dechlorination processes using compound-specific chlorine isotope analysis.

Sakaguchi-Söder, Kaori and Jager, Johannes and Grund, Harald and Matthäus, Felix and Schüth, Christoph (2007):
Monitoring and evaluation of dechlorination processes using compound-specific chlorine isotope analysis.
In: Rapid communications in mass spectrometry : RCM, pp. 3077-84, 21, (18), ISSN 0951-4198, [Article]

Abstract

A simple, quick and sensitive method for the compound-specific stable chlorine isotope analysis of chlorinated solvents by conventional quadrupole gas chromatography/mass spectrometry (GC/MS) is presented. With this method, compound-specific stable chlorine isotope ratios of typical chlorinated solvents like tetrachloroethene (PCE) and trichloroethene (TCE) can be determined quantitatively within 30 min by direct injection. The chlorine isotope ratios of target substances are calculated from the peak areas of several selected molecular ions and fragment ions of the substances, using a set of unique mathematical equations. The precision of the method was demonstrated through reproducibility tests. An internal precision of +/-0.4 per thousand to +/-1.1 per thousand was obtained when analyzing PCE and TCE in the 10-1000 pmol range. The validity of the method was further demonstrated by determining the chlorine isotopic fractionation factor during the reductive dechlorination of TCE in a batch experiment using zero-valent iron. The chlorine isotopic fractionation factor was calculated as 0.9976 +/- 0.0011 with a correlation coefficient of 0.9469 (n = 38). The high correlation coefficient indicates that compound-specific stable chlorine isotope analysis can be performed with sufficient accuracy using conventional quadrupole GC/MS when significant fractionation takes place during a reaction. For the first time, the chlorine isotope fractionation factor of TCE during an abiotic anaerobic dechlorination process was determined using quadrupole GC/MS, without offline sample preparation.

Item Type: Article
Erschienen: 2007
Creators: Sakaguchi-Söder, Kaori and Jager, Johannes and Grund, Harald and Matthäus, Felix and Schüth, Christoph
Title: Monitoring and evaluation of dechlorination processes using compound-specific chlorine isotope analysis.
Language: English
Abstract:

A simple, quick and sensitive method for the compound-specific stable chlorine isotope analysis of chlorinated solvents by conventional quadrupole gas chromatography/mass spectrometry (GC/MS) is presented. With this method, compound-specific stable chlorine isotope ratios of typical chlorinated solvents like tetrachloroethene (PCE) and trichloroethene (TCE) can be determined quantitatively within 30 min by direct injection. The chlorine isotope ratios of target substances are calculated from the peak areas of several selected molecular ions and fragment ions of the substances, using a set of unique mathematical equations. The precision of the method was demonstrated through reproducibility tests. An internal precision of +/-0.4 per thousand to +/-1.1 per thousand was obtained when analyzing PCE and TCE in the 10-1000 pmol range. The validity of the method was further demonstrated by determining the chlorine isotopic fractionation factor during the reductive dechlorination of TCE in a batch experiment using zero-valent iron. The chlorine isotopic fractionation factor was calculated as 0.9976 +/- 0.0011 with a correlation coefficient of 0.9469 (n = 38). The high correlation coefficient indicates that compound-specific stable chlorine isotope analysis can be performed with sufficient accuracy using conventional quadrupole GC/MS when significant fractionation takes place during a reaction. For the first time, the chlorine isotope fractionation factor of TCE during an abiotic anaerobic dechlorination process was determined using quadrupole GC/MS, without offline sample preparation.

Journal or Publication Title: Rapid communications in mass spectrometry : RCM
Volume: 21
Number: 18
Divisions: 11 Department of Materials and Earth Sciences > Earth Science
11 Department of Materials and Earth Sciences > Earth Science > Hydrogeology
13 Department of Civil and Environmental Engineering Sciences > Institute IWAR
13 Department of Civil and Environmental Engineering Sciences > Institute IWAR > Material Flow Management and Resource Economy
11 Department of Materials and Earth Sciences
13 Department of Civil and Environmental Engineering Sciences
Date Deposited: 08 Feb 2017 06:41
Identification Number: pmid:17705345
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