the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Validating the Nernst–Planck transport model under reaction-driven flow conditions using RetroPy v1.0
Bernd Flemisch
Chao-Zhong Qin
Martin O. Saar
Anozie Ebigbo
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.
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Notice on discussion status
The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.
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Preprint
(4246 KB)
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The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.
- Preprint
(4246 KB) - Metadata XML
- BibTeX
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- Final revised paper
Journal article(s) based on this preprint
Po-Wei Huang et al.
Interactive discussion
Status: closed
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RC1: 'Comment on egusphere-2022-1205', Lucjan Sapa, 04 Jan 2023
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AC1: 'Reply on RC1', Po-Wei Huang, 12 Jan 2023
Dear Professor Sapa,
We thank you for the efforts you took to review our paper and provide critical comments. We have carefully addressed the comments, especially in explaining the derivation of the electric field. The references you provided are relevant and helpful, and we have cited them. The domain dimensions of the experiment are included in the abstract, and the jump operator is defined. We hope the revisions meet your standards.
Please find the detailed reply to your comments in the attachment.
Sincerely,
Po-Wei Huang
powei.huang@erdw.ethz.ch
Postdoctoral Researcher, Geothermal Energy and Geofluids Group,
Institute of Geophysics, ETH Zurich
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AC1: 'Reply on RC1', Po-Wei Huang, 12 Jan 2023
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RC2: 'Comment on egusphere-2022-1205', Anonymous Referee #2, 30 May 2023
Please include also the changes indicated during the first iteration of the review.
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AC2: 'Reply on RC2', Po-Wei Huang, 06 Jun 2023
Dear Reviewer,
We thank you for reviewing our paper and giving us encouraging comments. We took all your comments into consideration, particularly in clarifying the initial molar concentrations of all simulations.In the supplement, we provide point-by-point responses. All modifications of the manuscript have been highlighted in red.
Sincerely,
Po-Wei Huang
powei.huang@erdw.ethz.ch
Postdoctoral Researcher, Geothermal Energy and Geofluids Group,
Institute of Geophysics, ETH Zurich
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AC2: 'Reply on RC2', Po-Wei Huang, 06 Jun 2023
Interactive discussion
Status: closed
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RC1: 'Comment on egusphere-2022-1205', Lucjan Sapa, 04 Jan 2023
-
AC1: 'Reply on RC1', Po-Wei Huang, 12 Jan 2023
Dear Professor Sapa,
We thank you for the efforts you took to review our paper and provide critical comments. We have carefully addressed the comments, especially in explaining the derivation of the electric field. The references you provided are relevant and helpful, and we have cited them. The domain dimensions of the experiment are included in the abstract, and the jump operator is defined. We hope the revisions meet your standards.
Please find the detailed reply to your comments in the attachment.
Sincerely,
Po-Wei Huang
powei.huang@erdw.ethz.ch
Postdoctoral Researcher, Geothermal Energy and Geofluids Group,
Institute of Geophysics, ETH Zurich
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AC1: 'Reply on RC1', Po-Wei Huang, 12 Jan 2023
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RC2: 'Comment on egusphere-2022-1205', Anonymous Referee #2, 30 May 2023
Please include also the changes indicated during the first iteration of the review.
-
AC2: 'Reply on RC2', Po-Wei Huang, 06 Jun 2023
Dear Reviewer,
We thank you for reviewing our paper and giving us encouraging comments. We took all your comments into consideration, particularly in clarifying the initial molar concentrations of all simulations.In the supplement, we provide point-by-point responses. All modifications of the manuscript have been highlighted in red.
Sincerely,
Po-Wei Huang
powei.huang@erdw.ethz.ch
Postdoctoral Researcher, Geothermal Energy and Geofluids Group,
Institute of Geophysics, ETH Zurich
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AC2: 'Reply on RC2', Po-Wei Huang, 06 Jun 2023
Peer review completion
Journal article(s) based on this preprint
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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Cited
The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.
- Preprint
(4246 KB) - Metadata XML