Spatially-Resolved Gas Hydrate Phase Stability in Clay-Bound Water: A Framework for Resource Potential and Production

Title: Spatially-Resolved Gas Hydrate Phase Stability in Clay-Bound Water: A Framework for Resource Potential and Production Authors: Sheng-Li Li (Corresponding author: [e-mail]), Yu-Xiang Chen, Shu-Hui Jiang, Peng-Cheng Hui Description: This dataset supports the study "Spatially-Resolved Gas Hydrate Phase Stability in Clay-Bound Water: A Framework for Resource Potential and Production" and provides all necessary materials to reproduce the phase equilibrium analysis and modeling presented in the paper. Contents: 1. experimental_data.xlsx - Contains all experimental P–T phase equilibrium points for Na- and Ca-montmorillonite. - Includes corresponding fitted water activity (a_w) and normalized relative thickness (x). - Sheet 1: Experimental setup and initial conditions (clay type, synthesis pressure, temperature). - Sheet 2: Raw phase equilibrium data (temperature-pressure pairs for different clay systems). - Sheet 3: Fitted parameters including computed water activity (a_w), normalized relative thickness (x), and exponential model coefficients. 2. fit.py - Python script used to compute gas fugacity (f_g), water activity (a_w), and the relative molar amount (as a proxy for bound-water layer thickness). - Water activity is computed using the CHEN–GUO thermodynamic model, which accounts for Langmuir adsorption, phase fugacities, and P–T-dependent activity corrections. - Compressibility factor Z is solved via the Patel–Teja Equation of State (PT-EOS), and gas-phase fugacity is derived accordingly. - The script then fits an exponential model a_w = 1 − B·exp(−k·x) across multiple datasets and generates a high-resolution plot (corresponding to Figure 6 in the manuscript). 3. manuscript_reference.txt - Provides full manuscript title and abstract, for citation context. Instructions: To reproduce the fitting process and plot: 1. Install Python dependencies: numpy, scipy, matplotlib 2. Run the script: `python fit.py` 3. The output figure will be saved in the current directory. Citation: Please cite this dataset as: Li, S.-L., Chen, Y.-X., Jiang, S.-H., & Hui, P.-C. (2025). Spatially-Resolved Gas Hydrate Phase Stability in Clay-Bound Water: A Framework for Resource Potential and Production [Dataset]. Zenodo. https://doi.org/10.5281/zenodo.15378760 License: CC-BY-4.0(Creative Commons Attribution 4.0 International) Funding: This work was supported by the National Natural Science Foundation of China (42172344 and 42402324) and the Science and Technology Development Project of Jilin Province, China (20210201099GX).