MIN3P-HPC: A High-Performance Unstructured Grid Code for Subsurface Flow and Reactive Transport Simulation
Sign Up to like & getrecommendations! Published in 2020 at "Mathematical Geosciences"
DOI: 10.1007/s11004-020-09898-7
Abstract: 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-established software ParMIN3P-THCm, a process-based numerical… read more here.
Keywords: reactive transport; min3p hpc; transport; simulation ... See more keywords
GeoChemFoam: Direct Modelling of Multiphase Reactive Transport in Real Pore Geometries with Equilibrium Reactions
Sign Up to like & getrecommendations! Published in 2021 at "Transport in Porous Media"
DOI: 10.1007/s11242-021-01661-8
Abstract: GeoChemFoam is an open-source OpenFOAM-based toolbox that includes a range of additional packages that solve various flow processes from multiphase transport with interface transfer, to single-phase flow in multiscale porous media, to reactive transport with… read more here.
Keywords: multiphase reactive; solved using; reactive transport; pore geometries ... See more keywords
Incorporating electrical double layers into reactive-transport simulations of processes in clays by using the Nernst-Planck equation: A benchmark revisited
Sign Up to like & getrecommendations! Published in 2018 at "Applied Geochemistry"
DOI: 10.1016/j.apgeochem.2017.10.018
Abstract: Abstract Owing to their low permeability clay formations are considered as potential host rocks for nuclear waste or as seals capping permeable reservoirs for storing unconventional gases. Clay materials such as bentonite are considered as… read more here.
Keywords: planck equation; reactive transport; nernst planck; transport ... See more keywords
Reactive transport calculations to evaluate sulphide fluxes in the near-field of a SF/HLW repository in the Opalinus Clay
Sign Up to like & getrecommendations! Published in 2019 at "Applied Geochemistry"
DOI: 10.1016/j.apgeochem.2018.11.006
Abstract: Radioactive waste is planned to be disposed in a deep geological repository in the Opalinus Clay (OPA) rock formation in Switzerland. Copper coating of the steel disposal canister is considered as an option to ensure… read more here.
Keywords: near field; reactive transport; transport calculations; repository opalinus ... See more keywords
Reactive transport modelling of push-pull tests: A versatile approach to quantify aquifer reactivity
Sign Up to like & getrecommendations! Published in 2021 at "Applied Geochemistry"
DOI: 10.1016/j.apgeochem.2021.104998
Abstract: Abstract Push-pull tests (PPTs) were evaluated with 1-D radially axisymmetric multi-component geochemical reactive transport modelling (RTM) to assess aquifer reactivity controlling groundwater quality. Nutrient fate and redox processes were investigated in an Aquifer Storage and… read more here.
Keywords: transport modelling; reactive transport; mw2 mw3; pull tests ... See more keywords
Pore-scale study of effects of macroscopic pores and their distributions on reactive transport in hierarchical porous media
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2018.05.106
Abstract: Abstract For applications of reactive transport in porous media, optimal porous structures should possess both high surface area for reactive sites loading and low mass transport resistance. Hierarchical porous media with a combination of pores… read more here.
Keywords: reactive transport; hierarchical porous; porous structures; transport ... See more keywords
Hydration implanted reactive transport modelling in saturated cement-based materials
Sign Up to like & getrecommendations! Published in 2021 at "Construction and Building Materials"
DOI: 10.1016/j.conbuildmat.2020.122185
Abstract: Abstract The hydration processes of binders determine two principal factors that controls the ions transport during external corrosion: porosity and chemical composition (solids and pore solutions) of the cementitious system. In this study, hydration modelling… read more here.
Keywords: based materials; saturated cement; reactive transport; hydration ... See more keywords
Biogeochemical and reactive transport modeling of arsenic in groundwaters from the Mississippi River delta plain: An analog for the As-affected aquifers of South and Southeast Asia
Sign Up to like & getrecommendations! Published in 2019 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2019.07.032
Abstract: Abstract Arsenic (As) concentrations and speciation were measured in groundwaters from the upper Chicot aquifer in southern Louisiana to: (1) ascertain the geochemical processes responsible for its mobilization into the groundwater; and (2) investigate the… read more here.
Keywords: aquifer; oxides oxyhydroxides; reactive transport; transport ... See more keywords
A reactive transport approach to modeling cave seepage water chemistry II: Elemental signatures
Sign Up to like & getrecommendations! Published in 2021 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2021.06.040
Abstract: Abstract Karst systems are useful for examining spatial and temporal variability in Critical Zone processes because they provide a window into the subsurface where waters have interacted with vegetation, soils, regolith, and bedrock across a… read more here.
Keywords: water; reactive transport; water chemistry; seepage ... See more keywords
A reactive transport approach to modeling cave seepage water chemistry I: Carbon isotope transformations
Sign Up to like & getrecommendations! Published in 2021 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2021.06.041
Abstract: Abstract The majority of Critical Zone research has emphasized silicate lithologies, which are typified by relatively slow rates of reactivity and incongruent weathering. However, the relatively simpler weathering of carbonate-dominated lithology can result in secondary… read more here.
Keywords: chemistry; carbon; carbon isotope; reactive transport ... See more keywords
Capturing In Situ Glyphosate (De)sorption Kinetics in Floodplain Aquifer Sediment Columns: Geophysical Measurements and Reactive Transport Modeling.
Sign Up to like & getrecommendations! Published in 2022 at "Environmental science & technology"
DOI: 10.1021/acs.est.1c07119
Abstract: Glyphosate, an ionizable organic herbicide, is frequently detected in soils and groundwater globally despite its strong retention via sorption. Understanding its apparent mobility hinges on our ability to quantify its system-specific sorption behavior, hindered by… read more here.
Keywords: glyphosate sorption; sorption; aquifer sediment; reactive transport ... See more keywords