Fast semi-analytical approach to approximate plumes of dissolved redox-reactive pollutants in heterogeneous aquifers. 2: Chlorinated ethenes
Résumé
The aim of this work was to extend and to validate the flux tube-mixed instantaneous and kinetics super-position sequence approach (FT-MIKSS) to reaction chains of degrading species. Existing analytical solutions for the reactive transport of chains of decaying solutes were embedded in the flux-tube approach in order to conceive a semi-analytical model that allows fast parameter fitting. The model was applied for chloroethenes undergoing reductive dechlorination and oxidation in homogeneous and heterogeneous aquifers with sorption. The results from the semi-analytical model were compared to results from three numerical models (RT3D, PH3TD, PHAST). All models were validated in a homogeneous domain with an existing analytical solution. In heterogeneous domains, we found significant differences between the four models. ET-MIKSS gave intermediate results for all modelled cases. Results were obtained almost instantaneously, whereas other models had calculation times of up to several hours. Chloroethene plumes and redox conditions at the Plattsburgh field site were realistically modelled by FT-MIKSS, although results differed somewhat from those of PHT3D and PHAST. It is concluded that it may be tedious to obtain correct modelling results in heterogeneous media with degradation chain reactions and that the comparison of two different models may be useful. FT-MIKSS is a valuable tool for fast parameter fitting at field sites and should be used in the preparation of longer model runs with other numerical models. (C) 2012 Elsevier Ltd. All rights reserved.