The Impact of Salinity on the Interfacial Structuring of an Aromatic Acid at the Calcite/Brine Interface: An Atomistic View on Low Salinity Effect

This study aims to elucidate the impact of salinity on the interactions governing the adsorption of polar aromatic oil compounds onto calcite. To this end, molecular dynamics simulations were employed to assess adsorption of a model polar organic molecule (deprotonated benzoic acid, benzoate) on the...

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Veröffentlicht in:The journal of physical chemistry. B 2020-01, Vol.124 (1), p.224-233
Hauptverfasser: Koleini, Mohammad Mehdi, Badizad, Mohammad Hasan, Hartkamp, Remco, Ayatollahi, Shahab, Ghazanfari, Mohammad Hossein
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Sprache:eng
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