Published in
Royal Society of Chemistry, RSC Advances, 39(10), p. 23312-23320, 2020
DOI: 10.1039/d0ra04453a
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Adsorption based realistic molecular model of amorphous kerogen
Journal article published in 2020 by
Hyeonseok Lee 
,
Farnaz A. Shakib,
Kouqi Liu,
Bo Liu,
Bailey Bubach,
Rajender S. Varma,
Ho Won Jang ,
Mohammadreza Shokouhimher ,
Mehdi Ostadhassan
,
Farnaz A. Shakib,
Kouqi Liu,
Bo Liu,
Bailey Bubach,
Rajender S. Varma,
Ho Won Jang ,
Mohammadreza Shokouhimher ,
Mehdi Ostadhassan
This paper is made freely available by the publisher.
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Abstract
This paper reports the results of Grand Canonical Monte Carlo (GCMC)/molecular dynamics (MD) simulations of N2 and CO2 gas adsorption on three different organic geomacromolecule (kerogen) models.