Revealing the non-covalent interactions between oxygen-containing demulsifiers and interfacially active asphaltenes: A multi-level computational simulation
Changqing He, Xincheng Zhang, Lin He, Hong Sui, Xingang Li
Topics & Concepts
DemulsifierHydrogen bondCovalent bondMoleculeAsphalteneNon-covalent interactionsChemical physicsChemistryIonic bondingDensity functional theoryvan der Waals forceStackingComputational chemistryMaterials scienceEmulsionOrganic chemistryIonPetroleum Processing and AnalysisEnhanced Oil Recovery TechniquesHydrocarbon exploration and reservoir analysis