title: Microbially enhanced dissolution and reductive dechlorination of PCE by a mixed culture: model validation and sensitivity analysis.
abstract: Reductive dechlorination catalyzed by organohalide-respiring bacteria is often considered for remediation of non-aqueous phase liquid (NAPL) source zones due to cost savings, ease of implementation, regulatory acceptance, and sustainability. Despite knowledge of the key dechlorinators, an understanding of the processes and factors that control NAPL dissolution rates and detoxification (i.e., ethene formation) is lacking. A recent column study demonstrated a 5-fold cumulative enhancement in tetrachloroethene (PCE) dissolution and ethene formation (Amos et al., 2009). Spatial and temporal monitoring of key geochemical and microbial (i.e., Geobacter lovleyi and Dehalococcoides mccartyi strains) parameters in the column generated a data set used herein as the basis for refinement and testing of a multiphase, compositional transport model. The refined model is capable of simulating the reactive transport of multiple chemical constituents produced and consumed by organohalide-respiring bacteria and accounts for substrate limitations and competitive inhibition. Parameter estimation techniques were used to optimize the values of sensitive microbial kinetic parameters, including maximum utilization rates, biomass yield coefficients, and endogenous decay rates. Comparison and calibration of model simulations with the experimental data demonstrate that the model is able to accurately reproduce measured effluent concentrations, while delineating trends in dechlorinator growth and reductive dechlorination kinetics along the column. Sensitivity analyses performed on the optimized model parameters indicate that the rates of PCE and cis-1,2-dichloroethene (cis-DCE) transformation and Dehalococcoides growth govern bioenhanced dissolution, as long as electron donor (i.e., hydrogen flux) is not limiting. Dissolution enhancements were shown to be independent of cis-DCE accumulation; however, accumulation of cis-DCE, as well as column length and flow rate (i.e., column residence time), strongly influenced the extent of reductive dechlorination. When cis-DCE inhibition was neglected, the model over-predicted ethene production ten-fold, while reductions in residence time (i.e., a two-fold decrease in column length or two-fold increase in flow rate) resulted in a more than 70% decline in ethene production. These results suggest that spatial and temporal variations in microbial community composition and activity must be understood to model, predict, and manage bioenhanced NAPL dissolution.
authors.affiliation: Atmospheric, Earth and Energy Division, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA.
authors.forename: Mingjie
authors.initials: M
authors.lastname: Chen
authors.forename: Linda M
authors.initials: LM
authors.lastname: Abriola
authors.forename: Benjamin K
authors.initials: BK
authors.lastname: Amos
authors.forename: Eric J
authors.initials: EJ
authors.lastname: Suchomel
authors.forename: Kurt D
authors.initials: KD
authors.lastname: Pennell
authors.forename: Frank E
authors.initials: FE
authors.lastname: Löffler
authors.forename: John A
authors.initials: JA
authors.lastname: Christ
mesh_terms: D001419:Bacteria / Q000378:metabolism*; D008962:Models, Theoretical; D010084:Oxidation-Reduction; D012995:Solubility; D013750:Tetrachloroethylene / Q000378:metabolism*; D014874:Water Pollutants, Chemical / Q000378:metabolism*
chemical_list: D014874:Water Pollutants, Chemical; D013750:Tetrachloroethylene
keywords: Enhanced dissolution; Model verification; Modeling; NAPL; PCE; Reductive dechlorination