Conformational search and dimerization study of average structures of asphaltenes

Journal of Molecular Structure: THEOCHEM

Volumn 755, Issue 1-3, 2005, Pages 1-8

  Carauta, Alexandre N M ^a   Correia, Júlio C G ^b   Seidl, Peter R ^a,c   Silva, Daniel M ^a  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^b CENTRO DE TECNOLOGIA MINERAL   (Brazil)

^c FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

Asphaltenes; Conformational search; Dimerization; Molecular dynamics; Semiempirical

Indexed keywords

EID: 28944434031     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.063     Document Type: Article

References (26)

1. S.E. Taylor Fuel 71 1992 1338
2. J.G. Speight The Chemistry and Technology of Petroleum second ed. 1978 Marcel Dekker New York
3. S.J. Park, and G.A. Mansoori Energy Sources 10 1988 109
4. H. Rassamdana, B. Dabir, M. Nematy, M. Farhani, and M. Sahim AICHE J. 42 1996 10
5. J. Hammami, K.A. Ferworn, and J.A. Nighswander Pet. Sci. Technol. 16 1998 227
6. S.E. Moschopedis, and J.G. Speight Fuel 55 1976 187
7. T.M. Ignasiak, and O.P. Strausz Fuel 57 1978 617
8. K.C. Tewari, L.G. Galya, K.M. Egan, and N.C. Li Fuel 57 1978 245
9. S. Acevedo, O. Leon, H. Rivas, G. Escobar, and L. Gutierrez prepr. Pap.-Am. Chem. Soc. Div. Pet. Chem. 32 1987 426
10. I.A. Wiehe, and K.S. Liang Fluid Phase Equilib. 117 1996 201
11. J.R. Wright, and R.R.J. Minesinger J. Colloid Interf. Sci. 18 1963 223
12. B. Siffert, J. Kuczinski, and E. Papirer J. Colloid Interf. Sci. 135 1990 107
13. J. Murgich, J. Rodriguez, and Y. Aray Energy Fuels 10 1996 68
14. J.F. Schabron, and J.G. Speight Pet. Sci. Technol. 16 1998 361
15. J.G. Speight Polynuclear Aromatic Compounds L.B. Ebert Advances in Chemical Series 217 1988 American Chemical Society Washington, DC
16. S.I. Andersen, and K.S. Birdi Fuel Sci. Technol. Int. 8 1990 593
17. P.R. Seidl, K.Z. Leal, E.C.A.N. Chrisman, S.M.C. de Menezes, W.F. de Souza, and M.A.G. Teixeira Am. Chem Soc. Div. Pet. Chem. 48 3 2003 145
18. H.C.A. Brandt, E.M. Hendriks, M.A.J. Michels, and F. Visser J. Phys. Chem. 99 1995 10430
19. E. Rogel Colloids Surf. 104 1995 85
20. J.H. Pacheco, P.I. Zaragoza, J.M. Marínez, Submitted to Energy and Fuels.
21. J. Murgich, J. Rodríguez, and Y. Aray Energy Fuels 10 1996 68
22. E.Y. Sheu O.C. Mullins E.Y. Sheu Structures and Dynamics of Asphaltenes 1998 Plenum Press New York, USA
23. E. Rogel Energy Fuels 14 2000 566
24. J.H. Pacheco, F.A. Ramírez, and J.M. Martinez Pet. Chem. Div. Prepr. 48 2 2003 71
25. V. Mujica, P. Nieto, L. Puerta, and S. Acevedo Energy Fuels 14 2000 632
26. J. Ridley, and M. Zerner Theoret. Chim. Acta 32 1973 11