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Lashgari, Mohsen, Arshadi, Mohammad-Reza, Parsafar, Gholam-Abbas. (1388). Matrix analysis of corrosion inhibition phenomena: Theoretical technique for inhibitor prediction and pre-selection. نشریه علمی پژوهشی دانشگاه آزاد اسلامی, 2(2), 79-86.
Mohsen Lashgari; Mohammad-Reza Arshadi; Gholam-Abbas Parsafar. "Matrix analysis of corrosion inhibition phenomena: Theoretical technique for inhibitor prediction and pre-selection". نشریه علمی پژوهشی دانشگاه آزاد اسلامی, 2, 2, 1388, 79-86.
Lashgari, Mohsen, Arshadi, Mohammad-Reza, Parsafar, Gholam-Abbas. (1388). 'Matrix analysis of corrosion inhibition phenomena: Theoretical technique for inhibitor prediction and pre-selection', نشریه علمی پژوهشی دانشگاه آزاد اسلامی, 2(2), pp. 79-86.
Lashgari, Mohsen, Arshadi, Mohammad-Reza, Parsafar, Gholam-Abbas. Matrix analysis of corrosion inhibition phenomena: Theoretical technique for inhibitor prediction and pre-selection. نشریه علمی پژوهشی دانشگاه آزاد اسلامی, 1388; 2(2): 79-86.

Matrix analysis of corrosion inhibition phenomena: Theoretical technique for inhibitor prediction and pre-selection

Journal of the Iranian Chemical Research
مقاله 1، دوره 2، شماره 2، شهریور 2009، صفحه 79-86    اصل مقاله (61.13 K)
نویسندگان
Mohsen Lashgari* 1؛ Mohammad-Reza Arshadi2؛ Gholam-Abbas Parsafar2
1Department of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), P.O. Box 45195- 1159, Zanjan, Iran
2Department of Chemistry, Sharif University of Technology, P.O. Box 11365-9516, Tehran, Iran
چکیده
Matrix Analysis of Corrosion Inhibition Phenomena (MACIP), in which an inhibitor is
considered as a point in a multi-dimensional virtual efficiency space, was performed on some
pyridine derivatives. The needed molecular parameters such as HOMO and LUMO energy
levels, charge densities on hetero atom, dipole moment, heat of formation, and total energy
values were obtained by means of semi-empirical quantum chemical methods; such as the AM1,
MNDO, MINDO/3, and PM3. The obtained results for 3,5- dimethyl pyridine and 2,4- dimethyl
pyridine reveal out the fact that the last molecule is a better corrosion inhibitor as indicated in
literature.
کلیدواژه‌ها
Pyridine corrosion inhibitors؛ Isolated inhibitor model؛ Matrix analysis؛ Virtual efficiency space؛ Semi-empirical methods
مراجع
[1] H.H. Uhlig, R.W. Revie, Corrosion and Corrosion Control, 3rd Edition, John Wiley & Sons, New
York, 1985.
[2] V.S. Sastri, Corrosion Inhibitors; Principales and application, John Wiley & Sons, New York, 1998.
[3] J. Vosta, J. Eliasek, Corros. Sci. 11 (1971) 223.
[4] J.M. Costa, J.M. Lluch, Corros. Sci. 24 (1984) 929.
[5] V.S. Sastri, J.R. Perumareddi, Corrosion (Houston) 53 (1997) 617.
[6] C. Ogretir, B. Mihici, G. Bereket, J. Mol. Struct. (Theochem) 488 (1999) 223.
[7] M. Lashgari, M.R. Arshadi, Gh.A Parsafar, Corrosion (Houston) 61 (2005) 778.
[8] M. Lashgari, M.R. Arshadi, V.S. Sastri, J. Electrochem. Soc. 154 (2007) 93.
[9] R.C. Ayers, N. Hackerman, J. Electrochem. Soc. 110 (1963) 507.
[10] A.J. Miller, Subset selection in regression, Monographs on Statistics and Applied Probabilities, Vol.
40, Chapman and Hall, London, 1990.
[11] I.N. Levine, Quantum Chemistry, 4th Edition, Prentice-Hall, New Jersey, 1991.

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