Abstract
Understanding the multi-mechanism pore-scale gas transport in shale reservoirs plays a key role in estimating the reserves and production of shale gas. In this work, nano-scale slits confined by two pieces of quasi-planar organic kerogen materials were modeled on the atomic scale. An integrated solution to quantify the complicated mass transfer process was proposed, involving adsorption thermodynamics analyses, diffusion coefficient calculations for free and adsorbed gas, and a chemical potential-based diffusion model to predict the dissolution process. The calculated density distribution in the slit agreed well with the Molecular Dynamics results, which proves the model’s accuracy for various diffusion mechanisms.
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