Unraveling biogeochemical complexity through better integration of experiments and modeling

Siade, Adam; Bostick, Benjamín C.; Cirpka, Olaf A.; Prommer, Henning

doi:10.1039/d1em00303h

Cited by 10 publications

(14 citation statements)

References 63 publications

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“…Understanding (and predicting) As concentrations and transport requires quantitative interpretation of the data. A crucial next step is the development of a process-based biogeochemical model that is capable of describing and quantifying the mineral (trans)formations and associated As behaviour that were observed in the present experimental study (Siade et al, 2021). This will allow the design of amendments that can maximise the generation of the target Fe phases under widely variable conditions that are common at contaminated sites.…”

Section: Discussionmentioning

confidence: 96%

In situ arsenic immobilisation for coastal aquifers using stimulated iron cycling: Lab-based viability assessment

Barron

Sun

Passaretti

et al. 2022

Applied Geochemistry

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Section: Discussionmentioning

confidence: 96%

In situ arsenic immobilisation for coastal aquifers using stimulated iron cycling: Lab-based viability assessment

Barron

Sun

Passaretti

et al. 2022

Applied Geochemistry

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“…A global sensitivity analysis was performed to assess the relative linear and nonlinear influence of the calibrated model parameters (Table ) on the model outputs (arsenic elution, mineral dissolution/precipitation, and surface passivation). This sensitivity analysis, presented in the Supporting Information together with the collected experimental data set, shows the importance of constraining the model calibration by observations encompassing a range of hydrochemical, geochemical, and hydrodynamic conditions …”

Section: Methodsmentioning

confidence: 95%

“…This sensitivity analysis, presented in the Supporting Information together with the collected experimental data set, shows the importance of constraining the model calibration by observations encompassing a range of hydrochemical, geochemical, and hydrodynamic conditions. 61 Reaction Network. The model accounts for a series of geochemical processes triggered by the changes in hydrochemistry and by the transition from anoxic to oxic conditions.…”

mentioning

confidence: 99%

Oxidative Dissolution of Arsenic-Bearing Sulfide Minerals in Groundwater: Impact of Hydrochemical and Hydrodynamic Conditions on Arsenic Release and Surface Evolution

Stolze

Battistel

Rolle

2022

Environ. Sci. Technol.

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The dissolution of sulfide minerals can lead to hazardous arsenic levels in groundwater. This study investigates the oxidative dissolution of natural As-bearing sulfide minerals and the related release of arsenic under flow-through conditions. Column experiments were performed using reactive As-bearing sulfide minerals (arsenopyrite and lollingite) embedded in a sandy matrix and injecting oxic solutions into the initially anoxic porous media to trigger the mineral dissolution. Noninvasive oxygen measurements, analyses of ionic species at the outlet, and scanning electron microscopy allowed tracking the propagation of the oxidative dissolution fronts, the mineral dissolution progress, and the change in mineral surface composition. Process-based reactive transport simulations were performed to quantitatively interpret the geochemical processes. The experimental and modeling outcomes show that porewater acidity exerts a key control on the dissolution of sulfide minerals and arsenic release since it determines the precipitation of secondary mineral phases causing the sequestration of arsenic and the passivation of the reactive mineral surfaces. The impact of surface passivation strongly depends on the flow velocity and on the spatial distribution of the reactive minerals. These results highlight the fundamental interplay of reactive mineral distribution and hydrochemical and hydrodynamic conditions on the mobilization of arsenic from sulfide minerals in flow-through systems.

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“…A series of different conceptual models and their numerical implementations were tested against observation data collected from the effluent solutions to identify and quantify the key controls on Cu leaching in the columns. For each of the tested variants, the model parameters were adjusted to minimize residuals between simulated and observed concentrations …”

Section: Methodsmentioning

confidence: 99%

In Situ Recovery of Copper: Identifying Mineralogical Controls via Model-Based Analysis of Multistage Column Leach Experiments

et al. 2023

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In situ recovery (ISR) has for several decades been considered an alternative mining method. It can substantially reduce the scarring of landscapes and eliminate tailings, dams, and waste rock while potentially minimizing energy consumption and carbon emissions. However, ISR applications beyond those for uranium have been limited. One key factor that limits the widespread application of the ISR approach is that many metals are largely hosted by orebodies with low hydraulic conductivity and/or a more pronounced hydrogeological and mineralogical heterogeneity. In those cases, the viability of ISR relies on a thorough understanding of the coupled transport and geochemical reaction processes and, more specifically, which subset of processes and parameters controls metal recovery. Laboratory experiments represent an essential first step toward developing this knowledge. Here, we describe a series of column experiments in which copper ore was leached during multistage experiments. Constrained by the collected data, we developed a reactive transport model and applied it to identify the main controls for copper recovery in the studied setup. The experiments showed copper recoveries above 60%, with a strong mineralogical control exerted by the composition of the copper mineral assemblage and a dependency of the copper recovery rates on the supplied lixiviant, i.e., the specific combination of acid and oxidant concentrations. The developed modeling framework was capable of accurately reproducing those observations and will provide a sound basis for optimizing copper recovery and establishing the reagent consumption.

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Unraveling biogeochemical complexity through better integration of experiments and modeling

Abstract: A more ubiquitous use of process-based models will enhance the information gained from biogeochemical experimentation through both, a more rigorous interpretation of acquired data and the optimal design of future experiments.

Cited by 10 publications

References 63 publications

In situ arsenic immobilisation for coastal aquifers using stimulated iron cycling: Lab-based viability assessment

In situ arsenic immobilisation for coastal aquifers using stimulated iron cycling: Lab-based viability assessment

Oxidative Dissolution of Arsenic-Bearing Sulfide Minerals in Groundwater: Impact of Hydrochemical and Hydrodynamic Conditions on Arsenic Release and Surface Evolution

In Situ Recovery of Copper: Identifying Mineralogical Controls via Model-Based Analysis of Multistage Column Leach Experiments

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