C04: Pore-scale and REV-scale approaches to biological and chemical pore-space alteration in porous media

Porosity and permeability are two major hydraulic properties that govern flow through porous media. Different kinds of processes can lead to alterations of the pore space which eventually change the hydraulic properties. This project focuses primarily on fluid-solid interfaces that are prone to change as a result of microbial activity. The alterations need to be measured experimentally and interpreted on the scales of interest by means of numerical simulations. It is also required to improve the efficiency of corresponding complex numerical simulation methods.

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41 to 50 of 143 Results

H2OCO2CaReactionModel.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 5.9 KB - MD5: 216be2d15d451df81f6eeb895da0087c Code Core Python module implementing the chemistry of the H₂O–CO₂–CaCO₃ system. It defines temperature-dependent equilibrium constants, carbonate speciation, and solvers for open and closed CO₂ equilibria, providing the thermodynamic basis for all pH and dissolution calculations in the associated publication.
Initial_Grid_Simulation_Values.pdf May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Adobe PDF - 29.3 KB - MD5: de7a6a42eca2838ba279228436d09393 PDF figure generated by `plot.py time` showing the time-series evolution of calcium concentration and pH for all 12 simulation cases using the initial grid resolution. Not shown in associated publication.
interpolate_co2_diffusion_coefficients.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 5.5 KB - MD5: 3b5d58372c89c8ee668f6942944bbbd3 Code Python script that performs linear interpolation and regression analysis for the temperature-dependent diffusion coefficient of CO₂ in water, using experimental data from the CRC Handbook of Chemistry and Physics. It fits a linear model to predict diffusion coefficients at arbitrary temperatures and calculates correlation statistics. The script acc...
investigate_recirculation.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 16.9 KB - MD5: b6f84cc3d3f347793d75565fc2b1103e Code Python script that examines flow recirculation characteristics by computing Rayleigh (Ra) and Richardson (Ri) numbers from both static characteristic files and post-processed simulation fluxes, and determining recirculation occurrence. Saves results to recirculation/recirculation_table.csv; the Richardson numbers correspond to Table D2 of the assoc...
makeDataFiles.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 4.3 KB - MD5: 141a8d70587d0e67366f152b4b8b06d5 Code One-time preprocessing script that converts raw experimental data from the NERO_ExperimentalData.ods spreadsheet into standardized CSV files for the 12 experimental cases. The resulting CSV files are formatted for direct use in postprocessing and plotting workflows, serving as the ground-truth inputs for all subsequent simulation comparisons and er...
NERO_ExperimentalData.ods May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog OpenOffice Spreadsheet - 18.0 KB - MD5: 01cb993dfda871b5074b0b7edd6eb982 Data Primary raw experimental dataset containing time-series measurements of elapsed time, calcium concentration (cCa), and pH for all fracture analog test cases. This spreadsheet serves as the source input for makeDataFiles.py and get_surface_retreat.py.
Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.pdf May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Adobe PDF - 1.5 MB - MD5: 03e9e8aebb7a12bebc82a2ba44699482 Visualization of outlet concentration contours and velocity fields for 6 mm aperture cases at 10 min and 60 min residence times (1.0 bar CO₂, 25 °C), generated by plot_outlet_contours.py. Corresponds to Figure D2 in the associated publication.
Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.png May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog PNG Image - 133.0 KB - MD5: 60eaa08e03d1d02c4bf10e7b2e536e48 Visualization of outlet concentration contours and velocity fields for 6 mm aperture cases at 10 min and 60 min residence times (1.0 bar CO₂, 25 °C), generated by plot_outlet_contours.py. Corresponds to Figure D2 in the associated publication.
plot_outlet_contours.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 8.2 KB - MD5: a0845f1401f311038653b0c9ddd75e18 Code Python script that generates Figure D2 by loading simulation data from VTU files via a PVD index and visualizing outlet concentration contours and velocity fields for 6 mm aperture cases (10 min and 60 min residence times), saving the output as Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.pdf and .png.
plot_plug_flow_contours.py May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog Python Source Code - 7.6 KB - MD5: b10f60fdb05779a43a52e6eabca6301a Code Python script that generates Figure D3 by visualizing plug-flow concentration contours for 2 mm and 6 mm aperture cases (10 min residence time, 1.0 bar CO₂, 25 °C) at multiple time steps, loading simulation data from VTU files via a PVD index, and saving the output as Plug_Flow_2and6mm_pC1.0_t10min_T25.pdf and .png.

H2OCO2CaReactionModel.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 5.9 KB -

Code

Core Python module implementing the chemistry of the H₂O–CO₂–CaCO₃ system. It defines temperature-dependent equilibrium constants, carbonate speciation, and solvers for open and closed CO₂ equilibria, providing the thermodynamic basis for all pH and dissolution calculations in the associated publication.

Initial_Grid_Simulation_Values.pdf

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Adobe PDF - 29.3 KB -

PDF figure generated by `plot.py time` showing the time-series evolution of calcium concentration and pH for all 12 simulation cases using the initial grid resolution. Not shown in associated publication.

interpolate_co2_diffusion_coefficients.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 5.5 KB -

Code

Python script that performs linear interpolation and regression analysis for the temperature-dependent diffusion coefficient of CO₂ in water, using experimental data from the CRC Handbook of Chemistry and Physics. It fits a linear model to predict diffusion coefficients at arbitrary temperatures and calculates correlation statistics. The script acc...

investigate_recirculation.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 16.9 KB -

Code

Python script that examines flow recirculation characteristics by computing Rayleigh (Ra) and Richardson (Ri) numbers from both static characteristic files and post-processed simulation fluxes, and determining recirculation occurrence. Saves results to recirculation/recirculation_table.csv; the Richardson numbers correspond to Table D2 of the assoc...

makeDataFiles.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 4.3 KB -

Code

One-time preprocessing script that converts raw experimental data from the NERO_ExperimentalData.ods spreadsheet into standardized CSV files for the 12 experimental cases. The resulting CSV files are formatted for direct use in postprocessing and plotting workflows, serving as the ground-truth inputs for all subsequent simulation comparisons and er...

NERO_ExperimentalData.ods

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

OpenOffice Spreadsheet - 18.0 KB -

Data

Primary raw experimental dataset containing time-series measurements of elapsed time, calcium concentration (cCa), and pH for all fracture analog test cases. This spreadsheet serves as the source input for makeDataFiles.py and get_surface_retreat.py.

Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.pdf

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Adobe PDF - 1.5 MB -

Visualization of outlet concentration contours and velocity fields for 6 mm aperture cases at 10 min and 60 min residence times (1.0 bar CO₂, 25 °C), generated by plot_outlet_contours.py. Corresponds to Figure D2 in the associated publication.

Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.png

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

PNG Image - 133.0 KB -

plot_outlet_contours.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 8.2 KB -

Code

Python script that generates Figure D2 by loading simulation data from VTU files via a PVD index and visualizing outlet concentration contours and velocity fields for 6 mm aperture cases (10 min and 60 min residence times), saving the output as Outlet_Zoom_In_6mm_pC1.0_t10min_and_60min_T25.pdf and .png.

plot_plug_flow_contours.py

May 27, 2026 - Data for: Validating a Numerical Model for Calco-Carbonic Reactive Flow in a Laboratory Scale Fracture Analog

Python Source Code - 7.6 KB -

Code

Python script that generates Figure D3 by visualizing plug-flow concentration contours for 2 mm and 6 mm aperture cases (10 min residence time, 1.0 bar CO₂, 25 °C) at multiple time steps, loading simulation data from VTU files via a PVD index, and saving the output as Plug_Flow_2and6mm_pC1.0_t10min_T25.pdf and .png.

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