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Modelling of geochemical and isotopic changes in a column experiment for degradation of TCE by zero-valent iron

Prommer, Henning and Aziz, Lidia H. and Bolaño, Nerea and Taubald, Heinrich and Schüth, Christoph (2008):
Modelling of geochemical and isotopic changes in a column experiment for degradation of TCE by zero-valent iron.
In: Journal of Contaminant Hydrology, Elsevier, pp. 13-26, 97, (1-2), ISSN 01697722, DOI: 10.1016/j.jconhyd.2007.11.003, [Online-Edition: https://www.sciencedirect.com/science/article/pii/S016977220...],
[Article]

Abstract

Zero-valent iron (ZVI) permeable-reactive barriers have become an increasingly used remediation option for the in situ removal of various organic and inorganic chemicals from contaminated groundwater. In the present study a process-based numerical model for the transport and reactions of chlorinated hydrocarbon in the presence of ZVI has been developed and applied to analyse a comprehensive data set from laboratory-scale flow-through experiments. The model formulation includes a reaction network for the individual sequential and/or parallel transformation of chlorinated hydrocarbons by ZVI, for the resulting geochemical changes such as mineral precipitation, and for the carbon isotope fractionation that occurs during each of the transformation reactions of the organic compounds. The isotopic fractionation was modelled by formulating separate reaction networks for lighter (12C) and heavier (13C) isotopes. The simulation of a column experiment involving the parallel degradation of TCE by hydrogenolysis and β-elimination can conclusively reproduce the observed concentration profiles of all collected organic and inorganic data as well as the observed carbon isotope ratios of TCE and its daughter products. © 2007 Elsevier B.V. All rights reserved.

Item Type: Article
Erschienen: 2008
Creators: Prommer, Henning and Aziz, Lidia H. and Bolaño, Nerea and Taubald, Heinrich and Schüth, Christoph
Title: Modelling of geochemical and isotopic changes in a column experiment for degradation of TCE by zero-valent iron
Language: English
Abstract:

Zero-valent iron (ZVI) permeable-reactive barriers have become an increasingly used remediation option for the in situ removal of various organic and inorganic chemicals from contaminated groundwater. In the present study a process-based numerical model for the transport and reactions of chlorinated hydrocarbon in the presence of ZVI has been developed and applied to analyse a comprehensive data set from laboratory-scale flow-through experiments. The model formulation includes a reaction network for the individual sequential and/or parallel transformation of chlorinated hydrocarbons by ZVI, for the resulting geochemical changes such as mineral precipitation, and for the carbon isotope fractionation that occurs during each of the transformation reactions of the organic compounds. The isotopic fractionation was modelled by formulating separate reaction networks for lighter (12C) and heavier (13C) isotopes. The simulation of a column experiment involving the parallel degradation of TCE by hydrogenolysis and β-elimination can conclusively reproduce the observed concentration profiles of all collected organic and inorganic data as well as the observed carbon isotope ratios of TCE and its daughter products. © 2007 Elsevier B.V. All rights reserved.

Journal or Publication Title: Journal of Contaminant Hydrology
Volume: 97
Number: 1-2
Publisher: Elsevier
ISBN: 0169-7722
Uncontrolled Keywords: Isotopic fractionation,Reactive barriers,Reactive transport,TCE,ZVI
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Earth Science
11 Department of Materials and Earth Sciences > Earth Science > Hydrogeology
Date Deposited: 17 Apr 2018 12:21
DOI: 10.1016/j.jconhyd.2007.11.003
Official URL: https://www.sciencedirect.com/science/article/pii/S016977220...
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