Multiscale Modeling of Gas Adsorption in Kerogen

The organic material found in shale rock, known as Kerogen, serves the dual purpose of being a source of natural gas as well as a reservoir for it. We used Monte Carlo simulations, Density Functional Theory and the Derjaguin–Broekhoff–de Boer model to predict adsorption in meso/macropores. This work provides a comprehensive characterization of organic porosity in kerogen fractions.