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

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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.


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    https://pubs.acs.org/doi/10.1021/acs.jpcc.7b06688
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Citation T. 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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