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Incorporating Electrostatic Coupling Effects into Multispecies Solute Transport Simulations with MODFLOW
Rodrigo Pérez-Illanes1, Christian D Langevin2, Muhammad Muniruzzaman3,4
1Aquatic Geochemistry Group, Institute of Applied Geosciences, Technical University of Darmstadt, Schnittspahnstraße 9, 64287, Darmstadt, Germany.
Ground Water
|November 28, 2025
Summary
Accurate solute transport simulation requires accounting for electrostatic coupling effects between ions in porous media. This study introduces a new method to integrate these effects into MODFLOW simulations, improving ion transport predictions.
Area of Science:
- Environmental Science
- Hydrogeology
- Computational Science
Background:
- Solute transport in porous media is influenced by electrostatic interactions between ions.
- Existing solute transport codes often lack the capability to simulate these electrostatic coupling effects.
- Accurate prediction of ion concentrations requires accounting for ion mobility and charge balance.
Purpose of the Study:
- To elaborate on the phenomenon of electrostatic coupling in solute transport.
- To present a methodology for incorporating electrostatic coupling into multispecies solute transport simulations using MODFLOW.
- To enhance the accuracy of ion transport predictions in porous media.
Main Methods:
- Utilized the MODFLOW Application Programming Interface (MODFLOW-API) for integration.
- Developed a dispersive correction to incorporate electrostatic coupling effects.
- Implemented the methodology within a multispecies solute transport simulation framework.
Main Results:
- Successfully integrated electrostatic coupling into MODFLOW simulations.
- Demonstrated the effectiveness of the developed coupling strategy through numerical results.
- Validated the implementation against existing simulators and experimental data.
Conclusions:
- The proposed methodology effectively incorporates electrostatic coupling into solute transport simulations.
- This advancement expands the applicability of multispecies ionic transport modeling at various scales.
- The integration improves the spatiotemporal prediction accuracy of ion concentrations in porous media.
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