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Role of the porphyrins and demulsifiers in the aggregation process of asphaltenes at water/oil interfaces under desalting conditions:a molecular dynamics study

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Petroleum Science 2020年第3期17卷 797-810页

作者： H.Santos Silva A.Alfarra G.Vallverdu D.Bégué B.Bouyssiere I.Baraille Institut des Science Analytiques et Physico-Chimie pour l’Environnement et les Materiaux UMR 5254CNRS/Univ Pau&Pays Adour64000 PauFrance Total Research and Technology GonfrevilleBP 2776700 HarfleurFrance Joint Laboratory C2MC:Complex Matrices Molecular Characterization Total Research and TechnologyGonfrevilleBP 2776700 HarfleurFrance

Breaking water-in-oil emulsions during the refining of crude oils is an important step before any upgrading process is *** molecules are incriminated as playing an important role in this *** the mechanisms behind the affinity between them and water is a key step to understand how to break these emulsions more easily and require lower amounts of *** which demulsifier molecule(s)to use is also primordial,but to do so rationally,one needs to know which are the molecular interactions in place between asphaltenes,porphyrins and water so that demulsifiers are chosen to destabilize a specific physical–chemical *** this paper,we study the interactions arising between asphaltenes and porphyrins and six different molecules potentially displaying a demulsification action in the presence of water/oil *** demonstrate that the ionic demulsifier molecules present an interesting potential to either interact strongly with water,replacing asphaltenes in this interaction,or to interact with the active sites of asphaltenes,deactivating them and avoiding any asphaltenic interfacial ***,we also found that although asphaltenes do not migrate spontaneously toward the water/oil interfaces,porphyrins do so rather *** indicates that porphyrins do have an important activity at the water/oil interface.

关键词： asphaltenes aggregation Petroporphyrins Molecular dynamics Emulsion Water-oil interface Demulsifiers

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