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Developing an Amorphous Kerogen Molecular Model Based on Gas Adsorption Isotherms
preprintrevised on 04.03.2020, 16:11 and posted on 06.03.2020, 13:25 by Hyeonseok Lee, kouqi liu, Farnaz A. Shakib, Bailey Bubach, Mehdi Ostadhassan
(1) Development of molecular models based on Bakken kerogen experiments using molecular dynamics and quantum mechanics software.
(2) CO2 and N2 gas molecules adsorption simulation on the models was a good agreement with experiments.