Theoretical investigation on inhibition mechanism of 1-(2-hydroxyethyl)-2-alkyl-imidazoline corrosion inhibitors

Acta Chimica Sinica

Volumn 66, Issue 22, 2008, Pages 2469-2475

  Zhang, Jun ^a   Hu, Song Qing ^a   Wang, Yong ^a   Guo, Wen Yue ^a   Liu, Jin Xiang ^a   You, Long ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

Imidazoline; Inhibition mechanism; Molecular dynamics simulation; Molecular mechanics; Quantum chemistry calculation

Indexed keywords

EID: 77951443121     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

1. Jovancicevic V., Ramachandran S., Prince P. Corrosion 1999, 55, 449.
2. Ramachandran S., Jovancicevic V. Corrosion 1999, 55, 259.
3. Cruz J., Martinez-Aguilera L. M. R., Salcedo R., Castro M. Int. J. Quantum Chem. 2001, 45, 546.
4. Rodríguez-Valdez L. M., Martínez-Villafañe A., Glossman-Mitnik D. J. Mol. Struct. (Theochem) 2005, 713, 65.
5. Sein L. T., Wei Y., Jansen S. A. Synth. Met. 2004, 143, 1.
6. Bereket G., Öǧretir C., Yurt A. J. Mol. Struct. (Theochem) 2001, 571, 139.
7. Lashkari M., Arshadi M. R. Chem. Phys. 2004, 299, 131.
8. Ramachandran S., Tsai B. L., Blanco M., Chen H., Tang Y., Goddard W. A. Langmuir 1996, 12, 6419.
9. Ramachandran S., Tsai B. L., Blanco M., Chen H., Tang Y., Goddard W. A. J. Phys. Chem. A 1997, 101, 83.
10. Kornherr A., Hansal S., Hansal W. E. G., Besenhard J. O., Kronberger H., Nauer G. E., Zifferer G. J. Chem. Phys. 2003, 119, 9719.
11. Bartley J., Huynh N., Bottle S. E., Flirt H., Notoya T., Schweinsberg D. P. Corros. Sci. 2003, 45, 81.
12. Duda Y., Govea-Rueda R., Galicia M., Beltran H. I., Zamudio-Rivera L. S. J. Phys. Chem. B 2005, 109, 22674.
13. Zhang S.-G., Chen Y., Wang F.-Y. Acta Chim. Sinica 2007, 65, 2235 (in Chinese).
14. Zamudio-Rivera L. S., Estrada A., Benavides A., Estrada-Buendía A., Benítez J. L. J. Mex. Chem. Soc. 2002, 46, 335.
15. Popova A., Christov M., Raicheva S., Christov M. Corros. Sci. 2004, 46, 1333.
16. Bei F.-L., Chen H.-Q., Yang X.-J., Lu L.-D., Wang X. Chin. J. Org. Chem. 2004, 24, 300 (in Chinese).
17. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Akrzewski V. G., Montgomery Jr. J. A., Stratmann R. E., Burant J. C., Dapprich S., Millam J. M., Daniels A. D., Kudin K. N., Strain M. C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G. A., Ayala P. Y., Cui Q., Morokuma K., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Cioslowski J., Ortiz J. V., Baboul A. G., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Andres J. L., Head-Gordon M., Replogle E. S., Pople J. A. Gaussian 03, Revision B.03, Gaussian Inc., Pittsburgh, PA, 2003.
18. Liu X. Y., Chen S. H., Ma H. Y., Liu G. Z., Shen L. X. Appl. Surf. Sci. 2006, 253, 814.
19. Heermann D. W. Computer Simulation Methods in the Theoretical Physics, Trans. by Qin, K. C., Peking University Press, Beijing, 1996 (in Chinese).
20. Materials Studio 4.0, Discover/Accelrys, San Diego, CA, USA, 2005.
21. Zhang S.-G., Wang F.-Y., Lei W., Xia M.-Z. Acta Chim. Sinica 2007, 65, 2249 (in Chinese).
22. Allen M. P., Tildesley D. J. Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
23. Maitland G. C., Rigby M., Smith E. B., Wakeham W. A. Intermolecular Forces: Their Origin and Determination, Oxford University Press, London, 1987.
24. Fermeglia M., Pricl S. Prog. Org. Coat. 2007, 58, 187.
25. Bereket G., Hur E., Ogretir C. J. Mol. Struct. (Theochem) 2002, 578, 79.
26. Parr R. G., Yang W. J. Am. Chem. Soc. 1984, 106, 4049.
27. Yang W., Parr R. G. Proc. Natl. Acad. Sci. U. S. A. 1985, 82, 6723.
28. Gómez B., Likhanova N. V., Aguilar M. A. D., Olivares O., Hallen J. M., Martínez-Magadán J. M. J. Phys. Chem. A 2005, 109, 8950.