Free Volume Model for Transport in Flexible Kerogen of Source Rock’s Organic Matter

• DOI: 10.1021/acs.jpcb.2c03970
• Publication Date: 2022-09-16T19:28:55Z
• Authors: Kristina Ariskina; Guillaume Galliéro; Amaël Obliger
• Keywords: 02 engineering and technology; 0204 chemical engineering

We build a model of transport adsorbed fluid within the microporous network kerogen's porosity, especially accounting for adsorption-induced swelling exhibited by flexible kerogen structures. This model, based on Fujita–Kishimoto free volume theory that was historically developed swellable polymers, is built over extensive results self-diffusion coefficients obtained molecular dynamics calculations representative designed to study importance flexibility effects properties kerogen. To do so, we first highlight incorporating coupling between molecules and matrix atoms does not introduce any significant collective in usual long time limit. Then, show despite slightly anisotropic diffusion properties, averaging all dimensions can still be performed order behavior with amount fluid. Lastly, link increase accessible loading via model. conclude commenting evolution significance parameters broad range thermophysical conditions.