This readme.txt file was generated on 2025-01-31 by Recommended citation for the data: Soucey, Charles E; Sutton, Collin R; Zahasky, Christopher; Yang, Weipeng; Kang, Peter K. (2025). Data Repository for Effects of Fluid Flow and Fracture Aperture on Solute Exchange in Triple Porosity Carbonates: Etched Rock Core Experiments and Numerical Modeling. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/h3zp-7g58. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Data Repository for Effects of Fluid Flow and Fracture Aperture on Solute Exchange in Triple Porosity Carbonates: Etched Rock Core Experiments and Numerical Modeling 2. Author Information Author Contact: Peter K Kang (pkkang@umn.edu) Name: Charles E Soucey Institution: University of Minnesota Email: souce015@umn.edu ORCID: 0000-0003-0469-070X Name: Collin R Sutton Institution:Universiy of Wisconsin - Madison Email: collin.sutton@wisc.edu ORCID: 0000-0001-7219-8413 Name: Christopher Zahasky Institution:Universiy of Wisconsin - Madison Email: czahasky@wisc.edu ORCID: 000-0002-3427-5622 Name: Weipeng Yang Institution: University of Minnesota Email: yang8782@umn.edu ORCID: 0000-0002-8057-2863 Name: Peter K Kang Institution: University of Minnesota Email: pkkang@umn.edu ORCID: 0000-0002-4961-6899 3. Date published or finalized for release: 2025-01-30 4. Date of data collection: 2023-05-11 to 2024-10-28 5. Geographic location of data collection (where was data collected?): University of Wisconsin, Maidson ; University of Minnesota, Twin Cities- Tate Hall 6. Information about funding sources that supported the collection of the data: Research was supported as a part of the Center on Geo-processes in mineral carbon storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences at the University of Minnesota under award #DE-SC0023429 7. Overview of the data (abstract): The data contained in this repository is related to the results and figures shown in the manuscript "Effects of Fluid Flow and Fracture Aperture on Solute Exchange in Triple Porosity Carbonates: Etched Rock Core Experiments and Numerical Modeling." The data encompasses multiple different data types and covers all of the major experiments used in the manuscript, including PET scan data extracted from core flooding experiments in our etched rock cores, COMSOL numerical model files, image data from digital photographs and HSV thresholding of cores, and breakthrough curve data with model files for MFIT curve fitting. The files included here are the necessary files for replicating the primary results outlined in the paper. This data is now released for the purpose of allowing open access to data and information for the purpose of replicating our results in future studies. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal (http://creativecommons.org/publicdomain/zero/1.0/) 2. Links to publications that cite or use the data: 3. Was data derived from another source? No, all data was created through my experiments If yes, list source(s): 4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/policies/#drum-terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- COMSOL_numerical_simulations.zip Filename: Core_etch_UW_v3.SLDPRT Short description: Solidworks CAD file for the COMSOL numerical model Filename: SLDPRT_to_mphgeom.mphbin Short description: Bin file to convert CAD file for Numerical Modeling Filename: V8_BTCs_aperture.mph Short description: COMSOL v6.1 file for numerical simulations of transport image_analysis.zip Filename: Core_Rxn_Thresholding.py Short description: Python code for the HSV thresholding of the post reaction core images Filename: 1C_high_light_top_trim.jpg Short description: Core-1 Fracture plane post acid inejction image Filename: 2C_high_light_top_trim.jpg Short description: Core -2 Fracture plane post acid injection image PET_scan_data.zip Filename: MN_2C_009ml_prereaction_5_11_23_rotate_crop_64_64_159_91.raw Short description: Raw PET data, Core-2 Filename: MN_1C_6ml_prereaction_5_10_23_rotate_crop_64_64_159_30.raw Short description: Raw PET data, Core-1 Filename: raw_pet_plot2D.py Short description: Python script for reconstructing .raw PET data into 4D voxel data MFIT_data.zip Filename: Core_1_6_mLmin.csv Short description: Breakthrough Currve data, Core-1 Filename: MFIT.sol Short description: MFIT file Filename: mfit.svd Short description: MFIT file Filename: MFIT.tpl Short description: MFIT file Filename: Output.txt Short description: MFIT file Filename: Output_1Ch.txt Short description: MFIT file Filename: Output_2Ch.txt Short description: MFIT file Filename: PestchekOutput.txt Short description: MFIT file Filename: Phi(N).txt Short description: MFIT file Filename: V15_2RNE_6mL.mfi Short description: MFIT file, simulation file for the Core-1 simulation Filename: Deriv.txt Short description: MFIT file Filename: Input.txt Short description: MFIT file Filename: Input_1Ch.txt Short description: MFIT file input for the 1Channel model Core-1 simulation Filename: Input_2Ch.txt Short description: MFIT file Input for the 2Channel model Core-1 simulation Filename: MFIT.ins Short description: MFIT file Filename: mfit.jco Short description:MFIT file Filename: mfit.mtt Short description:MFIT file Filename: mfit.par Short description:MFIT file Filename: mfit.par.1 Short description:MFIT file Filename: mfit.par.2 Short description:MFIT file Filename: mfit.par.3 Short description:MFIT file Filename: MFIT.pst Short description:MFIT file, PEST parameter estimation file Filename: mfit.rec Short description: MFIT file Filename: mfit.rei Short description: MFIT file Filename: mfit.res Short description: MFIT file Filename: mfit.rsd Short description: MFIT file Filename: mfit.sen Short description: MFIT file Filename: mfit.seo Short description: MFIT file Filename: Core_2_009_mLmin.csv Short description: Breakthrough curve data for the Core-2 trace Filename: mfit.seo Short description: MFIT file Filename: mfit.svd Short description: MFIT file Filename: MFIT.tpl Short description: MFIT file Filename: Output.txt Short description: MFIT file Filename: Output_1Ch.txt Short description: MFIT file Output for the 1Channel model Core-2 simulation Filename: Output_2Ch.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_best.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_old.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_old2.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_post_best.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: PestchekOutput.txt Short description: MFIT PEST file Filename: V15_2RNE_009mL.mfi Short description: MFIT file, simulation file for the Core-2 simulation Filename: Deriv.txt Short description: MFIT File Filename: Input.txt Short description: MFIT File Filename: Input_1Ch.txt Short description: MFIT file Input for the 1Channel model Core-2 simulation Filename: Input_2Ch.txt Short description: MFIT file Input for the 2Channel model Core-2 simulation Filename: Input_2Ch_best.txt Short description: MFIT file Input for the 2Channel model Core-2 simulation Filename: MFIT.ins Short description:MFIT File Filename: Deriv.txt Short description: MFIT file Filename: Input.txt Short description: MFIT file Filename: Input_1Ch.txt Short description:MFIT file input for the 1Channel model Core-2 simulation Filename: Input_2Ch.txt Short description: MFIT file input for the 2Channel model Core-2 simulation Filename: Input_2Ch_best.txt Short description: MFIT file input for the 2Channel model Core-2 simulation Filename: MFIT.ins Short description: MFIT File Filename: mfit.mtt Short description: MFIT File Filename: mfit.par Short description: MFIT file Filename: MFIT.pst Short description: MFIT PEST file Filename: mfit.rec Short description: MFIT file Filename: mfit.rei Short description: MFIT file Filename: mfit.res Short description: MFIT file Filename: mfit.sen Short description:MFIT File Filename: mfit.seo Short description: MFit File Filename: mfit.svd Short description: MFIT File Filename: MFIT.tpl Short description: MFIT File Filename: Output.txt Short description: Filename: Output_1Ch.txt Short description: MFIT file output for the 1Channel model Core-1 simulation Filename: Output_2Ch.txt Short description: MFIT file output for the 2Channel model Core-1 simulation Filename: Output_2Ch_best.txt Short description: MFIT file output for the 2Channel model Core-1 simulation Filename: Output_2Ch_old.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_old2.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: Output_2Ch_post_best.txt Short description: MFIT file output for the 2Channel model Core-2 simulation Filename: PestchekOutput.txt Short description: MFIT PEST check file Filename: V15_2RNE_009mL.mfi Short description: Core-2 MFIT saved inversion file supplementary_videos.zip Filename: supplementary_video_1.mp4 Short description: 6 second lapse Filename: supplementary_video_2.mp4 Short description: 40 second lapse 2. Relationship between files: All files with names with "mfit" or with .csv, .mfi, and .txt are all used for simulations in MFIT. Results of our curve fitting and PEST inversions can be recreated using the .csv files and the Input.txt files The .raw files are raw PET scan output files. To be reproduced, they should be imported into python for being turned into arrays for depth averaged reconstructions using the included raw_pet_plot2D.py file The core_rx_thresholding.py code is used for the HSV thresholding on the .jpg images taken after the acid injection experiments .SLDPRT, .mphbin, .mph files are all related to the COMSOL numerical simulations used to replicate solute transport and exchange in our experiments -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: PET Scanning - 4D Solute transport evolution, MFIT - Breakthrough curve fitting and inversions, COMSOL - Numerical Simulations, Core Flooding - Acid injection, python/openCV - Image analysis and thresholding, Profilometer - Profilometry data 2. Methods for processing the data: Much of the data here includes raw data. Python codes and ImageJ were used to interpret raw data and to process them into useable formats All simulation data was generated in COMSOLv6.1 using known experimental boundary conditions from injection experiments All of the profilometry data was interpreted using Keyence's proprietary profilometry software Core etching pattern was designed in SOLIDWORKS, exported to COMSOL as .sldpart file 3. Instrument- or software-specific information needed to interpret the data: COMSOL Multiphysics version 6.1 with the CAD import module 4. Standards and calibration information, if appropriate: Calibration information is only relevant for the PET scan and injection experiments and is instrument specific 5. Environmental/experimental conditions: Experiments were all conducted in the Subsurface Hydrophysics Lab at the University of Wisconsin Madison except for the PET experiments, which were conducted at the UW Madison SAIRF (Small Animal Imaging and Radiotherapy Facility) 6. Describe any quality-assurance procedures performed on the data: All radioactivity values for injection solutions were measured before injection using an independent radiation detector 7. People involved with sample collection, processing, analysis and/or submission: Chris Zahasky - UW Madison: czahasky@wisc.edu; Collin Sutton - UW Madison: collin.sutton@wisc.edu; Charles Soucey: UMN Twin Cities: souce015@umn.edu; Peter K Kang - UMN Twin Cities: pkkang@umn.edu ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Core_1_6_mLmin.csv and Core_2_009_mL.min.csv ----------------------------------------- 1. Number of variables: 3 2. Number of cases/rows: 291 3. Missing data codes: Code/symbol Definition Code/symbol Definition 4. Variable List A. Name: Timestep Description: Sequence of timesteps of measured data Value labels if appropriate B. Name: Radioconcentration Description: Radioconcentration (mCi/mL) measured instantaneously at the outlet rad detector in the experiments Value labels if appropriate C. Name: Weight Description: Weight of each of the timestep radioconcentration measurements -------------------------- DATA TREE -------------------------- | Readme_Kang_2025v2 | +---COMSOL_numerical_simulations.zip | Core_etch_UW_v3.SLDPRT | SLDPRT_to_mphgeom.mphbin | V8_BTCs_aperture.mph | +---image_analysis.zip | 1C_high_light_top_trim.jpg | 2C_high_light_top_trim.jpg | Core_Rxn_Thresholding.py | +---MFIT_data.zip | Core_1_6_mLmin.csv | Core_2_009_mLmin.csv | Deriv.txt | Input.txt | Input_1Ch.txt | Input_2Ch.txt | Input_2Ch_best.txt | MFIT.ins | mfit.jco | mfit.mtt | mfit.par | mfit.par.1 | mfit.par.2 | mfit.par.3 | MFIT.pst | mfit.rec | mfit.rei | mfit.res | mfit.rsd | mfit.sen | mfit.seo | MFIT.sol | mfit.svd | MFIT.tpl | Output.txt | Output_1Ch.txt | Output_2Ch.txt | Output_2Ch_best.txt | Output_2Ch_old.txt | Output_2Ch_old2.txt | Output_2Ch_post_best.txt | PestchekOutput.txt | Phi(N).txt | V15_2RNE_009mL.mfi | V15_2RNE_6mL.mfi | +---PET_scan_data.zip | MN_1C_6ml_prereaction_5_10_23_rotate_crop_64_64_159_30.raw | MN_2C_009ml_prereaction_5_11_23_rotate_crop_64_64_159_91.raw | raw_pet_plot2D.py | \---supplementary_videos.zip supplementary_video_1.mp4 supplementary_video_2.mp4