Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements
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DOI: 10.1038/s41598-017-07310-9
Abstract: Molecular structures of kerogen control hydrocarbon production in unconventional reservoirs. Significant progress has been made in developing model representations of various kerogen structures. These models have been widely used for the prediction of gas adsorption… read more here.
Keywords: density functional; kerogen structures; model; model representations ... See more keywords
Molecular simulation of shale gas adsorption onto overmature type II model kerogen with control microporosity
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Physics"
DOI: 10.1080/00268976.2016.1243739
Abstract: ABSTRACT We use an all-atom molecular dynamics simulation to generate the dense porous structures of overmature type II kerogen with control microporosity. The structures mimic the organic part of Barnett shale under a typical reservoir… read more here.
Keywords: adsorption; shale gas; kerogen structures; model ... See more keywords