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Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

OwnerNational Energy Technology Laboratory (NETL) - view all

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Molecular simulation of crude oil (resin) adsorption onto hydroxylated edge surfaces of the clay mineral kaolinite. Trends in adsorption are observed with changes in salinity and surface charge. This work provides molecular-scale properties relevant to low salinity flooding.

adsorption kaolinite low salinity waterflooding molecular modeling resin

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citationT. R. Zeitler, J. A. Greathouse, R. T. Cygan, J. T. Fredrich and G. R. Jerauld. (2017) Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure. J. Phys. Chem. C, 121, 22787-22796

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https://pubs.acs.org/doi/10.1021/acs.jpcc.7b06688
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https-pubs-acs-org-doi-10-1021-acs-jpcc-7b06688

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