Data and code: Semianalytical triple-porosity CO2 huff-n-puff model for shale

Abstract

Files are packaged as mendeley_data.zip; unzip to obtain the figure_reproduction/ and manuscript/ folders described below. This dataset supports reproduction of all computational results and manuscript figures (except where noted) for the article "CO2 retention in shale huff-n-puff: a triple-porosity model with dispersed kerogen and a closed CO2-CH4 inventory" (Geoenergy Science and Engineering). It contains: 1. figure_reproduction/ - Self-contained Python package to regenerate manuscript Figures 2-13 and the supplement figures, including vendored numerical utilities, figure scripts, TikZ sources, pre-built outputs, and run_all.py. The cycle inventory is scripts/co2_inventory.py. "python run_all.py --with-inventory" runs it before the figures; a rerun resumes from inventory_checkpoint.json. 2. manuscript/ - main.tex, references.bib, and the figures/ files referenced by the manuscript for optional recompilation (including the Figure 1 SEM PNG). Quick start (regenerate all computational figures, after unzipping): cd figure_reproduction python3 -m venv .venv source .venv/bin/activate pip install -r requirements.txt python run_all.py Outputs are written to figure_reproduction/figures/. See figure_reproduction/README.md for per-figure mapping, CLI options (--only, --skip), and runtime notes. Requirements: Python 3.10+; NumPy, SciPy, Matplotlib, mpmath; pdflatex for TikZ schematics. Figure 1 is the backscatter SEM image from Zhao et al. (CC BY 4.0), file manuscript/figures/applsci-15-01310-g005.png. It is not regenerated by the Python code; cite the original source when reusing the image. Code in figure_reproduction/ (author's implementation) is provided for academic reproduction and review; contact the author for other uses. Figure 1 image is third-party, CC BY 4.0, attribute Zhao et al. Creator: Mohammad Bagher Asadi, Independent Researcher, Montreal, QC, Canada. Contact: asadi.mohammadbagher@gmail.com