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DOE OSTI · 1849491

Application of spectroscopic evidence to diffuse layer model (DLM) parameter estimation for cation adsorption onto ferrihydrite in single- and bi-solute systems

Nomaan, Sheik Mohammad·Stokes, Shannon N.·Han, Joonkyoung·Katz, Lynn E.
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Abstract

The diffuse layer model (DLM) is one of the most frequently used surface complexation models (SCM) for predicting cation adsorption onto ferrihydrite. However, the DLM with its existing database sometimes fails to predict cation adsorption, especially in multi-solute systems. Notably, the failure is often attributed to inaccurate selection of the surface complexes and/or underestimation of the site density for DLM formulation. DLM simulations of batch adsorption data conducted with cadmium, copper, lead, and zinc on ferrihydrite in CO2 free systems demonstrates the ability of the DLM to fit single-solute data reasonably well but highlights its limitations with respect to predicting bi-solute data. Modifications to the DLM were made in two steps. First, spectroscopic evidence was used to guide cation complexation reactions at the ferrihydrite surface. Second, surface characteristics (reactive site density, specific surface area, and acidity constants) of ferrihydrite were updated according to recent literature. The results from this study suggest that when spectroscopic verification is employed and surface site density is increased, a simple two-site DLM can predict cation adsorption on ferrihydrite in single-solute systems for pH data above 3.5 and in most of the bi-solute systems tested.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY58 GEOSCIENCESadsorptiondiffuse layer modelferrihydritesurface complexation model

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Nomaan, Sheik Mohammad, Stokes, Shannon N., Han, Joonkyoung, Katz, Lynn E.. 2021-03-26. Application of spectroscopic evidence to diffuse layer model (DLM) parameter estimation for cation adsorption onto ferrihydrite in single- and bi-solute systems. https://doi.org/10.1016/j.chemgeo.2021.120199

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