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- W143364874 abstract "Subsurface radionuclide and trace metal contaminants throughout the U.S. Department of Energy (DOE) complex pose one of DOE’s greatest challenges for long-term stewardship. One promising in situ immobilization approach of these contaminants is engineered mineral (co)precipitation of calcite driven by urea hydrolysis that is catalyzed by enzyme urease. The tight nonlinear coupling among flow, transport, reaction and reaction-induced property changes of media of this approach was studied by reactive transport simulations with systematically increasing level of complexities of reaction network and physical/chemical heterogeneities using a numerical simulator named STOMP. Sensitivity studies on the reaction rates of both urea hydrolysis and calcite precipitation are performed via controlling urease enzyme concentration and precipitation rate constant according to the rate models employed. We have found that the rate of ureolysis is a dominating factor in the amount of precipitated mineral; however, the spatial distribution of the precipitates depends on both rates of ureolysis and calcite precipitation. A maximum 5% reduction in the porosity was observed within the simulation time period of 6 pore volumes in our 1-dimensional (1D) column simulations. When a low permeability inclusion is considered in the 2D simulations, the altered flow fields redistribute mineral forming constituents, leading to a distortedmore » precipitation reaction front. The simulations also indicate that mineral precipitation occurs along the boundary of the low permeability zone, which implies that contaminants in the low permeability zone could be encapsulated and isolated from the flow paths.« less" @default.
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- W143364874 date "2010-11-01" @default.
- W143364874 modified "2023-09-22" @default.
- W143364874 title "Numerical Simulations of Urea Hydrolysis and Calcite Precipitation in Porous Media Using STOMP" @default.
- W143364874 hasPublicationYear "2010" @default.
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