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Adsorption based realistic molecular model of amorphous kerogen

Hyeonseok Lee, Farnaz A. Shakib, Kouqi Liu, Bo Liu, Bailey Bubach, Rajender S. Varma, Ho Won Jang, Mohammadreza Shokouhimher, Mehdi Ostadhassan

2020RSC Advances29 citationsDOIOpen Access PDF

Abstract

This paper reports the results of Grand Canonical Monte Carlo (GCMC)/molecular dynamics (MD) simulations of N<sub>2</sub> and CO<sub>2</sub> gas adsorption on three different organic geomacromolecule (kerogen) models.

Topics & Concepts

KerogenAdsorptionAmorphous solidChemical engineeringChemistryMaterials scienceOrganic chemistryGeologySource rockEngineeringPaleontologyStructural basinHydrocarbon exploration and reservoir analysisPetroleum Processing and AnalysisEnhanced Oil Recovery Techniques
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