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Ginn, Timothy R.

Publications and source records attributed to Ginn, Timothy R..

Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?

Transfer functions (i.e., convolutions) have been powerful tools for both forward modeling and reconstructing past states of transport systems in a wide range of subsurface flow problems. The advantage of the transfer function is that it is a simple alternative to complicated, distributed parameter models of flow and transport, but the majority of applications of transfer functions in hydrology have been limited to relatively simple cases, like passive tracers or first-order decay. The central question evaluated in this note is whether or not multicomponent mixing-limited reactive transport can be represented within a transfer function framework. Our examples consider forward-in-time predictions and backward-in-time reconstructions of a carbonate system that represents the intrusion of seawater into a freshwater aquifer. The main result is that accurate forward-in-time and backward-in-time models are developed by posing the problem in terms of conservative components. As with all convolution-based methods, the results are sensitive to errors and/or noise in the input functions, but we show that smoothed approximations of the requisite functions provide good representations of transport. Given the vast unknowns in any subsurface transport problem, such generalized, reactive transfer function models may have yet unexplored advantages when the trade-offs between overall computational cost, accuracy, and uncertainty are explored in more detail.

42 ENGINEERING↗

Impact of different environmental conditions on the aggregation of biogenic U(IV) nanoparticles synthesized by Desulfovibrio alaskensis G20

This study investigates the impact of specific environmental conditions on the formation of colloidal U(IV) nanoparticles by the sulfate reducing bacteria (SRB, Desulfovibrio alaskensis G20). The reduction of soluble U(VI) to less soluble U(IV) was quantitatively investigated under growth and non-growth conditions in bicarbonate or 1,4-piperazinediethanesulfonic acid (PIPES) buffered environments. Here, the results showed that under non-growth conditions, the majority of the reduced U nanoparticles aggregated and precipitated out of solution. High resolution transmission electron microscopy revealed that only a very small fraction of cells had reduced U precipitates in the periplasmic spaces in the presence of PIPES buffer, whereas in the presence of bicarbonate buffer, reduced U was also observed in the cytoplasm with greater aggregation of biogenic U(IV) particles at higher initial U(VI) concentrations. The same experiments were repeated under growth conditions using two different electron donors (lactate and pyruvate) and three electron acceptors (sulfate, fumarate, and thiosulfate). In contrast to the results of the non-growth experiments, even after 0.2 μm filtration, the majority of biogenic U(IV) remained in the aqueous phase resulting in potentially mobile biogenic U(IV) nanoparticles. Size fractionation results showed that U(IV) aggregates were between 18 and 200 nm in diameter, and thus could be very mobile. The findings of this study are helpful to assess the size and potential mobility of reduced U nanoparticles under different environmental conditions, and would provide insights on their potential impact affecting U(VI) bioremediation efforts at subsurface contaminated sites.

54 ENVIRONMENTAL SCIENCES↗

Modeling of Microbially Induced Calcite Precipitation for the Immobilization of Strontium-90 Using a Variable Velocity Streamtube Ensemble (Final Technical Report)

Biogeochemical modeling using PHREEQC2 and a streamtube ensemble approach is utilized to understand a well-to-well subsurface treatment system at the Vadose Zone Research Park (VZRP) near Idaho Falls, Idaho. Treatment involves in situ microbially-mediated ureolysis to induce calcite precipitation for the immobilization of strontium-90. PHREEQC2 is utilized to model the kinetically-controlled ureolysis and consequent calcite precipitation. Reaction kinetics, equilibrium phases, and cation exchange are used within PHREEQC2 to track pH and levels of calcium, ammonium, urea, and calcite precipitation over time, within a series of one-dimensional advective-dispersive transport paths creating a streamtube ensemble representation of the well-to-well transport. An understanding of the impact of physical heterogeneities within this radial flowfield is critical for remediation design; we address this via the streamtube approach: instead of depicting spatial extents of solutes in the subsurface we focus on their arrival distribution at the control well(s). Traditionally, each streamtube maintains uniform velocity; however in radial flow in homogeneous media, the velocity within any given streamtube is spatially-variable in a common way, being highest at the input and output wells and approaching a minimum at the midpoint between the wells. This idealized velocity variability is of significance in the case of ureolytically driven calcite precipitation. Streamtube velocity patterns for any particular configuration of injection and withdrawal wells are available as explicit calculations from potential theory, and also from particle tracking programs. To approximate the actual spatial distribution of velocity along streamtubes, we assume idealized radial non-uniform velocity associated with homogeneous media. This is implemented in PHREEQC2 via a non-uniform spatial discretization within each streamtube that honors both the streamtube’s travel time and the idealized “fast-slow-fast” pattern of non-uniform velocity along the streamline. Breakthrough curves produced by each simulation are weighted by the path-respective flux fractions (obtained by deconvolution of tracer tests conducted at the VZRP) to obtain the flux-average of flow contributions to the observation well.

54 ENVIRONMENTAL SCIENCES↗

Field Investigations of Microbially Facilitated Calcite Precipitation for Immobilization of Strontium-90 and Other Trace Metals in the Subsurface (Field Report)

This final report is organized into 2 sections. The first section (page 2) describes the multi institutional 13 month Rifle Colorado Field Campaign with an emphasis on the contributions to the campaign by the University of Idaho. The second section (page 16) of the report describes the overall accomplishments including a list of publications for the entire project.

54 ENVIRONMENTAL SCIENCES↗