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Article
A benchmark study on reactive two-phase flow in porous media: Part II - results and discussion
This paper presents and discusses the results obtained by the participants to the benchmark described in de Hoop et al, Comput. Geosci. (2024). The benchmark uses a model for CO2 geological storage and focuses o...
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Article
Open AccessMIN3P-HPC: A High-Performance Unstructured Grid Code for Subsurface Flow and Reactive Transport Simulation
The numerical simulation of flow and reactive transport in porous media with complex domains is nontrivial. This paper presents a method to implement fully unstructured grid capabilities into the well-establis...
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Article
Controls of uncertainty in acid rock drainage predictions from waste rock piles examined through Monte-Carlo multicomponent reactive transport
Heterogeneity in waste rock piles (WRPs) determines uncertainty in acid mine drainage (ARD) predictions from these deposits. Numerical modeling based on a novel and efficient stochastic framework to evaluate i...
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Article
Open AccessBarometric-pum** controls fugitive gas emissions from a vadose zone natural gas release
Subsurface natural gas release from leaking oil and gas wells is a major environmental concern. Gas migration can cause aquifer contamination, explosive conditions in soil gas, and greenhouse gas emissions. Ga...
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Article
Correction to: Diel plant water use and competitive soil cation exchange interact to enhance NH4+ and K+ availability in the rhizosphere
In Table 1 of the original publication, values and units for parameters used to simulate root nutrient uptake (Vmax and Km) were incorrect. Here we present the correct values and units for these parameters.
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Article
Open AccessDiel plant water use and competitive soil cation exchange interact to enhance NH4 + and K+ availability in the rhizosphere
Hydro-biogeochemical processes in the rhizosphere regulate nutrient and water availability, and thus ecosystem productivity. We hypothesized that two such processes often neglected in rhizosphere models — diel...
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Article
Mobility and persistence of methane in groundwater in a controlled-release field experiment
Expansion of shale gas extraction has fuelled global concern about the potential impact of fugitive methane on groundwater and climate. Although methane leakage from wells is well documented, the consequences ...
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Article
Open AccessReactive transport benchmarks for subsurface environmental simulation
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Article
Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation
Changes of porosity, permeability, and tortuosity due to physical and geochemical processes are of vital importance for a variety of hydrogeological systems, including passive treatment facilities for contamin...
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Article
Benchmark problems for reactive transport modeling of the generation and attenuation of acid rock drainage
Acid rock drainage (ARD) is a problem of international relevance with substantial environmental and economic implications. Reactive transport modeling has proven a powerful tool for the process-based assessmen...
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Article
A reactive transport benchmark on modeling biogenic uraninite re-oxidation by Fe(III)-(hydr)oxides
A reactive transport benchmark on uranium (U) bioreduction and concomitant reoxidation has been developed based on the multicomponent biogeochemical reaction network presented by Spycher et al. (Geochim Cosmochim...
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Article
Benchmarks for multicomponent reactive transport across a cement/clay interface
The use of the subsurface for CO2 storage, geothermal energy generation, and nuclear waste disposal will greatly increase the interaction between clay(stone) and concrete. The development of models describing the...
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Article
A benchmark for microbially mediated chromium reduction under denitrifying conditions in a biostimulation column experiment
Bioremediation efforts in aquifers contaminated with redox-sensitive contaminants often rely on in situ reductive immobilization. The bioremediation treatment usually involves injection of organic carbon into ...
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Article
A benchmark for multi-rate surface complexation and 1D dual-domain multi-component reactive transport of U(VI)
Nonequilibrium surface complexation reactions have been found to substantially affect U(VI) transport in natural porous media both in laboratory and field scale experiments. Nonequilibrium sorption behavior oc...
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Article
Decalcification of cracked cement structures
The benchmark problem presented in this paper deals with the leaching of calcium from hardened cement paste. The leaching of calcium results in the dissolution of the cement minerals which affects physical, ch...
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Article
Benchmarks for multicomponent diffusion and electrochemical migration
In multicomponent electrolyte solutions, the tendency of ions to diffuse at different rates results in a charge imbalance that is counteracted by the electrostatic coupling between charged species leading to a...
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Article
Solution of the MoMaS reactive transport benchmark with MIN3P—model formulation and simulation results
This paper summarizes the governing equations as implemented in the MIN3P multicomponent flow and reactive transport code (Mayer et al., Water Resour Res 38:1174, 2002) and introduces the equations in discretized...
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Article
Comparison of numerical methods for simulating strongly nonlinear and heterogeneous reactive transport problems—the MoMaS benchmark case
Although multicomponent reactive transport modeling is gaining wider application in various geoscience fields, it continues to present significant mathematical and computational challenges. There is a need to ...