Development and Sensitivity Analysis of a Fully Kinetic Model of Sequential Reductive Dechlorination in Groundwater
datasetposted on 01.10.2011, 00:00 by Flavio Malaguerra, Julie C. Chambon, Poul L. Bjerg, Charlotte Scheutz, Philip J. Binning
A fully kinetic biogeochemical model of sequential reductive dechlorination (SERD) occurring in conjunction with lactate and propionate fermentation, iron reduction, sulfate reduction, and methanogenesis was developed. Production and consumption of molecular hydrogen (H2) by microorganisms have been modeled using modified Michaelis–Menten kinetics and has been implemented in the geochemical code PHREEQC. The model have been calibrated using a Shuffled Complex Evolution Metropolis algorithm to observations of chlorinated solvents, organic acids, and H2 concentrations in laboratory batch experiments of complete trichloroethene (TCE) degradation in natural sediments. Global sensitivity analysis was performed using the Morris method and Sobol sensitivity indices to identify the most influential model parameters. Results show that the sulfate concentration and fermentation kinetics are the most important factors influencing SERD. The sensitivity analysis also suggests that it is not possible to simplify the model description if all system behaviors are to be well described.
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sulfate concentrationkineticmodel descriptionbiogeochemical modelResults showiron reductionlaboratory batch experimentssulfate reductionSERDTCEchlorinated solventsH 2 concentrationssensitivity analysissequential reductive dechlorinationShuffled Complex Evolution Metropolis algorithmgeochemical code PHREEQCSequential Reductive DechlorinationGlobal sensitivity analysisSobol sensitivity indicesKinetic Modelmodel parametersMorris methodSensitivity Analysissystem behaviors