Evaluation of Reactive Transport Processes in a Heterogeneous Porous Aquifer Within a Non-Parametric Numerical Stochastic Transport Modelling Framework Based on Sequential Indicator Simulation of Categorical Variables

Author(s):  
Thomas Ptak
2020 ◽  
Author(s):  
Nicolas Seigneur ◽  
K. Ulrich Mayer

<p>In certain reactive transport applications, strong coupling between geochemical reactions and hydrodynamics exists. Dissolution and precipitation of minerals, such as the conversion between gypsum and anhydrite [1] or the precipitation of nesquehonite during CO<sub>2</sub> sequestration [2], as well as gas bubble formation [3] are geochemical processes which modify the multiphase flow dynamics, with direct feedback on reactive transport processes. In addition, heat generation induced by sulphide mineral oxidation can lead to significant increases in temperature [4], impacting flow, transport and geochemical reactions. In these instances, commonly used reactive transport modelling approaches, which rely on decoupling flow and reactive transport processes, have limitations. For density dependent or two-phase flow problems in the presence of a gas phase, the coupling between flow and reactive transport can be accounted for through a Picard iterative approach [3,5,6]. However, this approach is computationally expensive, involving the solution of nonlinear problems multiple times during each timestep, and convergence properties are often poor. More recently, a weak explicit coupling approach was developed to capture the impact of chemistry on flow by integrating water as a component and perform a volume balance calculation [7]. In the current work, a compositional approach is implemented into MIN3P-THCm, in which the flow variables (pressure, density) are expressed based on mass variables. Hence, this global implicit approach does not require solving the flow problem, but instead integrates groundwater flow processes directly into the reactive transport equations. We show that this approach yields very similar results to the commonly used approaches for single and two-phase flow. Finally, we show that, in highly coupled systems, not considering these coupled effects may lead to significant errors in simulating system evolution, highlighting the benefits of the newly developed approach.</p><p> </p><p>[1] Jowett, Cathles & Davis (1993). AAPG Bulletin, 77(3), 402-413.</p><p>[2] Harrison, Dipple, Power & Mayer (2015). Geochimica et cosmochimica Acta, 148, 477-495.</p><p>[3] Amos and Mayer (2006). Journal of contaminant hydrology, 87(1-2), 123-154.</p><p>[4] Lefebvre, Hockley, Smolensky & Gélinas (2001). Journal of contaminant hydrology, 52(1-4), 137-164.</p><p>[5] Henderson, Mayer, Parker, & Al (2009). Journal of contaminant hydrology, 106(3-4), 195-211.</p><p>[6] Sin, Lagneau and Corvisier (2017). Advances in Water Resources, 100, 62-77.</p><p>[7] Seigneur, Lagneau, Corvisier & Dauzères (2018). Advances in Water Resources 122, 355-366.</p>


2021 ◽  
Vol 1 ◽  
pp. 293-294
Author(s):  
Johannes Kulenkampff ◽  
Till Bollermann ◽  
Maria A. Cardenas Rivera ◽  
Cornelius Fischer

Abstract. The analysis of fluid transport through tight barrier materials poses two major challenges: (i) Long equilibration periods require long minimum experiment durations, and (ii) the fluid transport frequently results in complex pattern formation. Measuring times that are too short may feign transport rates that are too low; intact homogeneous samples are often missing problematic features, e.g. fractures. Both issues are detected and analyzed by using process tomography techniques, thereby providing an improved understanding of transport processes in complex materials. We thus continuously develop and apply the positron emission tomography (PET) method for geomaterials (Kulenkampff et al., 2016). This is able to trace very low concentrations of β+-emitting radionuclides during their passage through drill cores of barrier material with reasonable resolution (1 mm) and over variable periods (hours to years). The method yields time-resolved quantitative tomographic images of the tracer concentration (e.g. https://doi.org/10.5281/zenodo.166509), in contrast to input-output experiments like common permeability measurements, diffusion cells or break-through curves. Our current research includes the analysis of diffusive transport in heterogeneous shales (sandy facies of the Opalinus Clay) (BMBF and HGF iCross project), the reactive flow in fracture-filling materials of crystalline rocks (Eurad FUTURE project) and transport in engineered barriers and the contact zone (Euratom Cebama, Eurad Magic, as well as MgO and Stroefun BMWi projects). The efforts combine flow field tomography, structural imaging and reactive transport modelling to improve process understanding and to provide a bridge from the molecular to the macroscopic scale. The benefits include: Insight into temporal stability and spatial heterogeneity of the observed transport process Parameterization of local velocity distribution and effective volume as well as comparability with pore-scale model simulations Ability to quantify multiple internal transport rates without the need to register the delayed output signal Transparent and palpable visualization of processes hidden in the opaque material The method requires specific constraints of the experimental setup (size, fluid pressure, temperature). Nevertheless, it provides unique insight into reactive transport processes observed in potential materials for nuclear waste management.


2017 ◽  
Vol 99 ◽  
pp. 131-141 ◽  
Author(s):  
M. Carme Chaparro ◽  
Josep M. Soler ◽  
Maarten W. Saaltink ◽  
Urs K. Mäder

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