Je. Szecsody et al., INFLUENCE OF IRON-OXIDE INCLUSION SHAPE ON CO(II III)EDTA REACTIVE TRANSPORT THROUGH SPATIALLY HETEROGENEOUS SEDIMENT/, Water resources research, 34(10), 1998, pp. 2501-2514
Multisolute reactive transport was investigated in chemically heteroge
neous systems to determine the influence of the shapes of the reactive
heterogeneities (iron oxide inclusions) by comparison of two-dimensio
nal heterogeneous experiments with spatially averaged models that had
differing inclusion characterization. Eleven reactions were considered
in this system, starting with adsorption of the initial solute (Co(II
)EDTA) to Fe oxides, followed by two competing surface reactions: oxid
ation forming Co(III)EDTA and Fe dissolution forming Fe(III)EDTA and C
o2+. Spatial moments of the eight mobile species were compared between
data and models. One spatially averaged model (homogeneous equivalent
), which incorporated inclusion mass only, significantly under predict
ed oxidation (up to 74%), the influence of reaction kinetics, and spec
ies retardation. In contrast, the ensemble average model (incorporatin
g inclusion mass and length) well predicted speciation, retardation, a
nd skewness. This large difference in prediction between two spatially
averaging models was caused by the lack of incorporation of contact t
ime of solutes with iron oxides in the homogeneous equivalent model an
d the importance of the contact time with the differing timescales of
reactions. Experimental and modeling results also showed that the unce
rtainty in prediction of specific species increased as the inclusions
varied from more ideal (fixed-length) to more natural (variable-length
) shape of inclusions.