Sorption and anaerobic biodegradation of soluble aromatic compounds during groundwater transport. 2. Computer modeling

Abstract.

The natural attenuation of a binary mixture of toluene and 1,2,4-trimethylbenzene, which was previously experimentally demonstrated in anaerobic column experiments, was simulated with the newly-developed PHREEQC model to reveal the biogeochemical processes involved. The processes considered in this model include advection, diffusion, sorption, redox reactions (e.g., oxidation of toluene and 1,2,4-trimethylbenzene coupled to the reduction of microbial ferric iron), precipitation of secondary minerals such as siderite and magnetite, and dissolution of hydrous ferric oxides, as well as other thermodynamic equilibrium reactions. The functions of advection and diffusion built into the PHREEQC were conventionally simulated. The sorption was kinetically simulated based on a bicontinuum model, whereas biodegradation was described using a multiple-term Monod model. The processes mentioned above were coupled with a geochemical equilibrium model. The consistency between the experimental and modeling results indicates that the processes defined and the controlling parameters chosen could describe the coupled interactions between transport and biogeochemical reactions for the studied system. The discrepancy between modeling and experimental observations, however, also revealed the limitation of the modeling approach. In general, the model approach, which incorporates simplified mathematical representations of the true physico-chemical dynamics of the sorption and biodegradation processes of toluene and 1,2,4-trimethylbenzene under anaerobic conditions is a very efficient and good predictive tool in management and remediation of contaminant groundwater aquifers.