Preprints
https://doi.org/10.5194/egusphere-2022-1205
https://doi.org/10.5194/egusphere-2022-1205
 
30 Nov 2022
30 Nov 2022
Status: this preprint is open for discussion.

Validating the Nernst–Planck transport model under reaction-driven flow conditions using RetroPy v1.0

Po-Wei Huang1, Bernd Flemisch2, Chao-Zhong Qin3, Martin O. Saar1,4, and Anozie Ebigbo5 Po-Wei Huang et al.
  • 1Geothermal Energy and Geofluids Group, Institute of Geophysics, Department of Earth Sciences, ETH Zurich, Zurich, Switzerland
  • 2Institute for Modelling Hydraulic and Environmental Systems, University of Stuttgart, Stuttgart, Germany
  • 3State Key Laboratory of Coal Mine Disaster Dynamics and Control, Chongqing University, Chongqing, China
  • 4Department of Earth and Environmental Sciences, University of Minnesota, Minneapolis, USA
  • 5Chair of Hydromechanics, Helmut Schmidt University, Hamburg, Germany

Abstract. Reactive transport processes in natural environments often involve many ionic species. The diffusivities of ionic species vary. Since assigning different diffusivities in the advection-diffusion equation leads to charge imbalance, a single diffusivity is usually used for all species. In this work, we apply the Nernst–Planck equation, which resolves unequal diffusivities of the species in an electroneutral manner, to model reactive transport. To demonstrate the advantages of the Nernst–Planck model, we compare the simulation results of transport under reaction-driven flow conditions using the Nernst–Planck model with those of the commonly used single-diffusivity model. All simulations are also compared to well-defined experiments. Our results show that the Nernst–Planck model is valid and particularly relevant for modeling reactive transport processes with an intricate interplay among diffusion, reaction, electromigration, and density-driven convection.

Po-Wei Huang et al.

Status: open (until 11 Mar 2023)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2022-1205', Lucjan Sapa, 04 Jan 2023 reply
    • AC1: 'Reply on RC1', Po-Wei Huang, 12 Jan 2023 reply

Po-Wei Huang et al.

Data sets

Data supplement for: Validating the Nernst–Planck transport model under reaction-driven flow conditions using RetroPy v1.0 Po-Wei Huang, Bernd Flemisch, Chao-Zhong Qin, Martin O. Saar, Anozie Ebigbo https://doi.org/10.5281/zenodo.7362225

Model code and software

RetroPy Po-Wei Huang https://doi.org/10.5281/zenodo.7371384

Video supplement

Video supplement for: Validating the Nernst–Planck transport model under reaction-driven flow conditions using RetroPy v1.0 Po-Wei Huang, Bernd Flemisch, Chao-Zhong Qin, Martin O. Saar, Anozie Ebigbo http://hdl.handle.net/20.500.11850/579224

Po-Wei Huang et al.

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Short summary
Water in natural environments consists of many ions. Ions are electrically charged and exert electric forces on each other. We discuss whether the electric forces are relevant in describing mixing and reaction processes in natural environments. By comparing our computer simulations to lab experiments in literature, we show that the electric interactions between ions can play an essential role in mixing and reaction processes, in which case they should not be neglected in numerical modeling.