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- W2558272622 abstract "Introduction and Methods We performed computer simulations to study the adsorption characteristics of the aqueous uranyl ion (UO2 ) near the siloxane surface of montmorillonite, a smectite clay. Our goal is to better understand the fate of uranium waste products in groundwater and soil sediments, a problem of increasing importance in environmental geochemistry. We used the Monte Carlo simulation methodology and clay potential parameters of Skipper et al. (1995). Potential parameters for the aqueous uranyl ion yield a coordination geometry consistent with experimental data (Gilbaud et al., 1996). In our simulations, we have investigated the clay d(001) spacing and uranyl coordination structure as a function of water content. The simulation supercell consisted of approximately 8 unit cells of the mineral, 3 UO2 2+ ions, and N interlayer water molecules." @default.
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- W2558272622 date "2002-01-30" @default.
- W2558272622 modified "2023-09-26" @default.
- W2558272622 title "Computer Simulation of Uranyl Adsorption on Montmorillonite Clay" @default.
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