This readme.txt file was generated on 2024-01-12 by Recommended citation for the data: Lee, Woonghee; Kang, Peter. (2024). Numerical simulation setup for single mineral dissolution in a single pore channel. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/nrt0-h049. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Numerical simulation setup for single mineral dissolution in a single pore channel 2. Author Information Author Contact: Woonghee Lee (lee02042@umn.edu) Name: Woonghee Lee Institution: University of Minnesota Email: lee02042@umn.edu ORCID: 0000-0002-7432-9816 Name: Peter Kang Institution: University of Minnesota Email: pkkang@umn.edu ORCID: 0000-0002-4961-6899 3. Date published or finalized for release: 2024-01-04 4. Date of data collection (single date, range, approximate date): 2022-06-01 to 2023-06-30 5. Geographic location of data collection (where was data collected?): 6. Information about funding sources that supported the collection of the data: We acknowledge support from NSF via Grant No. EAR1813526. 7. Overview of the data (abstract): Mineral dissolution under fluid flow conditions is crucial for various subsurface processes and applications. By controlling concentration gradients at the fluid-solid interfaces, fluid flow is a primary driving force behind pore-scale mineral dissolution. Recent studies have shown that fluid inertia can readily occur in porous media and fracture systems, inducing substantial recirculating flows. Moreover, three-dimensional (3D) flows have been shown to impact reactive transport dynamics significantly compared to two-dimensional (2D) flows. However, the effects of 3D flow and fluid inertia on pore-scale mineral dissolution dynamics remain largely unknown. To bridge this knowledge gap, we established a micro-continuum pore-scale reactive transport model to explore the effects of pore-scale flow and fluid inertia on mineral dissolution dynamics. In addition, we conducted flow topology analysis, which allowed us to detect unique patterns of 2D and 3D recirculating flows. The simulation results reveal that the 3D flows and fluid inertia dramatically alter mineral dissolution dynamics, including mineral dissolution patterns and effective dissolution rates, in comparison with a 2D system. Furthermore, we found that in 3D, reactive surface area evolves much differently than a conventional upscaled relationship between reactive surface area and porosity, which is often used in continuum-scale modeling. These findings highlight the critical role of 3D flows and fluid inertia in modeling mineral dissolution across scales, from pore-scale to Darcy-scale. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal 2. Links to publications that cite or use the data: TBD 3. Was data derived from another source? 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/drum/policies/#terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- File List Filename: 2DSingleCell.zip Short description: 2D simulation case Filename: 3DSingleCell.zip Short description: 3D simulation case 2. Relationship between files: Each zip file is a single case for 2D and 3D. -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: These are C++ script files for OpenFOAM to perform flow and reactive transport with rock dissolution. 2. Methods for processing the data: