Revealing self-aggregation mechanism of asphaltenes during oxidative aging using quantum mechanical calculations
Mei Deng, Xuejuan Cao, Boming Tang, Ying Yuan
Topics & Concepts
HeteroatomAsphalteneChemistryDensity functional theoryAromaticityMoleculeDimerHydrogen bondIntermolecular forceChemical physicsStackingCharge densityComputational chemistryCrystallographyOrganic chemistryRing (chemistry)Quantum mechanicsPhysicsPetroleum Processing and AnalysisEnhanced Oil Recovery TechniquesHydrocarbon exploration and reservoir analysis