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Adsorption based realistic molecular model of amorphous kerogen

This paper reports the results of Grand Canonical Monte Carlo (GCMC)/molecular dynamics (MD) simulations of N(2) and CO(2) gas adsorption on three different organic geomacromolecule (kerogen) models. Molecular models of kerogen, although being continuously developed through various analytical and th...

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Detalles Bibliográficos
Autores principales: Lee, Hyeonseok, Shakib, Farnaz A., Liu, Kouqi, Liu, Bo, Bubach, Bailey, Varma, Rajender S., Jang, Ho Won, Shokouhimher, Mohammadreza, Ostadhassan, Mehdi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054644/
https://www.ncbi.nlm.nih.gov/pubmed/35520330
http://dx.doi.org/10.1039/d0ra04453a