Theoretical study of the σ-π And π-π interactions in heteroaromatic monocyclic molecular complexes of benzene, pyridine, and thiophene dimers: Implications on the resin-asphaltene stability in crude oil

Energy and Fuels

Volumn 25, Issue 6, 2011, Pages 2526-2541

  Castellano, Olga ^a   Gimon, Raquel ^a   Soscun, Humberto ^b,c  

^a PDVSA INTEVEP   (Venezuela)

^b FACULTAD DE CIENCIAS VETERINARIAS   (Venezuela)

^c Instituto de Ingeniería   (Venezuela)

Author keywords

[No Author keywords available]

Indexed keywords

ASPHALTENES; BENZENE; COMPLEXATION; CRUDE OIL; DENSITY FUNCTIONAL THEORY; MOLECULAR STRUCTURE; POLARIZATION; PYRIDINE; RESINS; STABILITY; THIOPHENE;

ASPHALTENE STABILITY; ELECTRONIC INTERACTIONS; GENERALIZED GRADIENT APPROXIMATIONS; INTERACTION ENERGIES; INTERMOLECULAR INTERACTION POTENTIALS; INTRAMOLECULAR INTERACTIONS; MOLECULAR COMPLEXES; STRUCTURAL CONFORMATIONS;

DIMERS;

EID: 79959407380     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/ef101471t     Document Type: Article

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