Articles | Volume 8, issue 10
https://doi.org/10.5194/gmd-8-3333-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/gmd-8-3333-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Development and technical paper
| 
22 Oct 2015
Development and technical paper |
| 22 Oct 2015
A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2
W. He
CORRESPONDING AUTHOR
Department of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany
Applied Environmental System Analysis, Technical University Dresden, Dresden, Germany
C. Beyer
Institute of Geosciences, Geohydromodeling, Christian-Albrechts-Universität zu Kiel, Kiel, Germany
J. H. Fleckenstein
Department of Hydrogeology, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany
E. Jang
Department of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany
Applied Environmental System Analysis, Technical University Dresden, Dresden, Germany
O. Kolditz
Department of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany
Applied Environmental System Analysis, Technical University Dresden, Dresden, Germany
D. Naumov
Faculty of Mechanical and Energy Engineering, Leipzig University of Applied Science, Leipzig, Germany
T. Kalbacher
Department of Environmental Informatics, Helmholtz Centre for Environmental Research – UFZ, Leipzig, Germany
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- Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains M. Muniruzzaman & M. Rolle 10.1016/j.advwatres.2016.10.013
- Parallelization of MIN3P-THCm: A high performance computational framework for subsurface flow and reactive transport simulation D. Su et al. 10.1016/j.envsoft.2017.06.008
- A new operator-splitting finite element scheme for reactive transport modeling in saturated porous media R. Lu et al. 10.1016/j.cageo.2022.105106
- POET (v0.1): speedup of many-core parallel reactive transport simulations with fast DHT lookups M. De Lucia et al. 10.5194/gmd-14-7391-2021
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- A new approach to coupled two-phase reactive transport simulation for long-term degradation of concrete Y. Huang et al. 10.1016/j.conbuildmat.2018.09.114
- A perspective on applied geochemistry in porous media: Reactive transport modeling of geochemical dynamics and the interplay with flow phenomena and physical alteration H. Deng et al. 10.1016/j.apgeochem.2022.105445
- Simulation of temperature effects on groundwater flow, contaminant dissolution, transport and biodegradation due to shallow geothermal use C. Beyer et al. 10.1007/s12665-016-5976-8
- Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake S. Kyas et al. 10.1007/s10596-021-10126-2
- Multiphase and multicomponent simulation of acid mine drainage in unsaturated mine waste: Modeling approach, benchmarks and application examples M. Muniruzzaman et al. 10.1016/j.apgeochem.2020.104677
- DecTree v1.0 – chemistry speedup in reactive transport simulations: purely data-driven and physics-based surrogates M. De Lucia & M. Kühn 10.5194/gmd-14-4713-2021
- Do wastewater pollutants impact oxygen transfer in aerated horizontal flow wetlands? J. Boog et al. 10.1016/j.cej.2019.123173
- Identifying the influential aquifer heterogeneity factor on nitrate reduction processes by numerical simulation E. Jang et al. 10.1016/j.advwatres.2016.11.007
- The MANgrove–GroundwAter feedback model (MANGA) – Describing belowground competition based on first principles J. Bathmann et al. 10.1016/j.ecolmodel.2020.108973
- A framework for reactive transport modeling using FEniCS–Reaktoro: governing equations and benchmarking results L. Damiani et al. 10.1007/s10596-019-09919-3
- A tutorial review of reactive transport modeling and risk assessment for geologic CO2 sequestration P. Liu et al. 10.1016/j.cageo.2019.02.007
- EURAD state-of-the-art report: development and improvement of numerical methods and tools for modeling coupled processes in the field of nuclear waste disposal F. Claret et al. 10.3389/fnuen.2024.1437714
- Parallel finite element modelling of multi-physical processes in thermochemical energy storage devices W. Wang et al. 10.1016/j.apenergy.2016.03.053
- Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions M. Muniruzzaman & M. Rolle 10.1029/2019WR026373
- Induced geochemical reactions by compressed air energy storage in a porous formation in the North German Basin B. Wang & S. Bauer 10.1016/j.apgeochem.2019.02.003
- Modeling the impacts of plants and internal organic carbon on remediation performance in the integrated vertical flow constructed wetland X. Ma et al. 10.1016/j.watres.2021.117635
- A comparative study of using two numerical strategies to simulate the biochemical processes in microbially induced calcite precipitation D. Feng et al. 10.1016/j.jrmge.2021.08.013
- Modeling of Dissolution‐Induced Permeability Evolution of a Granite Fracture Under Crustal Conditions R. Lu et al. 10.1029/2018JB015702
- A model on assessing effects of gas diffusion in multifield coupled process for unsaturated soils Z. Ye et al. 10.1007/s12665-023-10836-z
- The coupled non-isothermal, multiphase-multicomponent flow and reactive transport simulator OpenGeoSys–ECLIPSE for porous media gas storage W. Pfeiffer et al. 10.1007/s12665-016-6168-2
27 citations as recorded by crossref.
- Nernst‐Planck‐based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments M. Rolle et al. 10.1002/2017WR022344
- Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains M. Muniruzzaman & M. Rolle 10.1016/j.advwatres.2016.10.013
- Parallelization of MIN3P-THCm: A high performance computational framework for subsurface flow and reactive transport simulation D. Su et al. 10.1016/j.envsoft.2017.06.008
- A new operator-splitting finite element scheme for reactive transport modeling in saturated porous media R. Lu et al. 10.1016/j.cageo.2022.105106
- POET (v0.1): speedup of many-core parallel reactive transport simulations with fast DHT lookups M. De Lucia et al. 10.5194/gmd-14-7391-2021
- Improved regional-scale groundwater representation by the coupling of the mesoscale Hydrologic Model (mHM v5.7) to the groundwater model OpenGeoSys (OGS) M. Jing et al. 10.5194/gmd-11-1989-2018
- Modeling the relationship of aeration, oxygen transfer and treatment performance in aerated horizontal flow treatment wetlands J. Boog et al. 10.1016/j.watres.2019.03.062
- A new approach to coupled two-phase reactive transport simulation for long-term degradation of concrete Y. Huang et al. 10.1016/j.conbuildmat.2018.09.114
- A perspective on applied geochemistry in porous media: Reactive transport modeling of geochemical dynamics and the interplay with flow phenomena and physical alteration H. Deng et al. 10.1016/j.apgeochem.2022.105445
- Simulation of temperature effects on groundwater flow, contaminant dissolution, transport and biodegradation due to shallow geothermal use C. Beyer et al. 10.1007/s12665-016-5976-8
- Accelerated reactive transport simulations in heterogeneous porous media using Reaktoro and Firedrake S. Kyas et al. 10.1007/s10596-021-10126-2
- Multiphase and multicomponent simulation of acid mine drainage in unsaturated mine waste: Modeling approach, benchmarks and application examples M. Muniruzzaman et al. 10.1016/j.apgeochem.2020.104677
- DecTree v1.0 – chemistry speedup in reactive transport simulations: purely data-driven and physics-based surrogates M. De Lucia & M. Kühn 10.5194/gmd-14-4713-2021
- Do wastewater pollutants impact oxygen transfer in aerated horizontal flow wetlands? J. Boog et al. 10.1016/j.cej.2019.123173
- Identifying the influential aquifer heterogeneity factor on nitrate reduction processes by numerical simulation E. Jang et al. 10.1016/j.advwatres.2016.11.007
- The MANgrove–GroundwAter feedback model (MANGA) – Describing belowground competition based on first principles J. Bathmann et al. 10.1016/j.ecolmodel.2020.108973
- A framework for reactive transport modeling using FEniCS–Reaktoro: governing equations and benchmarking results L. Damiani et al. 10.1007/s10596-019-09919-3
- A tutorial review of reactive transport modeling and risk assessment for geologic CO2 sequestration P. Liu et al. 10.1016/j.cageo.2019.02.007
- EURAD state-of-the-art report: development and improvement of numerical methods and tools for modeling coupled processes in the field of nuclear waste disposal F. Claret et al. 10.3389/fnuen.2024.1437714
- Parallel finite element modelling of multi-physical processes in thermochemical energy storage devices W. Wang et al. 10.1016/j.apenergy.2016.03.053
- Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions M. Muniruzzaman & M. Rolle 10.1029/2019WR026373
- Induced geochemical reactions by compressed air energy storage in a porous formation in the North German Basin B. Wang & S. Bauer 10.1016/j.apgeochem.2019.02.003
- Modeling the impacts of plants and internal organic carbon on remediation performance in the integrated vertical flow constructed wetland X. Ma et al. 10.1016/j.watres.2021.117635
- A comparative study of using two numerical strategies to simulate the biochemical processes in microbially induced calcite precipitation D. Feng et al. 10.1016/j.jrmge.2021.08.013
- Modeling of Dissolution‐Induced Permeability Evolution of a Granite Fracture Under Crustal Conditions R. Lu et al. 10.1029/2018JB015702
- A model on assessing effects of gas diffusion in multifield coupled process for unsaturated soils Z. Ye et al. 10.1007/s12665-023-10836-z
- The coupled non-isothermal, multiphase-multicomponent flow and reactive transport simulator OpenGeoSys–ECLIPSE for porous media gas storage W. Pfeiffer et al. 10.1007/s12665-016-6168-2
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Short summary
This technical paper presents a new tool to simulate reactive transport processes in subsurface systems and which couples the open-source software packages OpenGeoSys and IPhreeqc. A flexible parallelization scheme was developed and implemented to enable an optimized allocation of computer resources. The performance tests of the coupling interface and parallelization scheme illustrate the promising efficiency of this generally valid approach to simulate reactive transport problems.
This technical paper presents a new tool to simulate reactive transport processes in subsurface...
