SFB 1313 is an interdisciplinary Collaborative Research Centre of the University of Stuttgart, consisting of four major project areas (A-D), divided in 17 individual research projects. It is funded by the German Research Foundation (DFG) and affiliated to the Cluster of Excellence "Data-integrated Simulation Science (SimTech)".

Interfaces have a great impact on multi-field processes (flow, transport and deformation) in porous-media systems. SFB 1313 aims to research these interfaces and to gain a fundamental understanding how they affect multi-field processes. An important step is therefore to quantify how the dynamics of fluid-fluid and fluid-solid interfaces in porous-media systems are affected by pore geometry, heterogeneity and fractures. Furthermore, developing experimental knowledge as well as mathematical and computational models will support SFB 1313‘s research.

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Adobe PDF - 29.1 KB - MD5: 6c47351c2d4b5c48852df5d2b76cd95a
PDF figure generated by `plot.py time` showing the time-series evolution of calcium concentration and pH for all 12 simulation cases using the grid-convergent resolution. Shown in figure 4 (b) in associated publication.
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.
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.
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...
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...
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...
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.
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.
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.
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.
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