Experimental and atomistic simulation studies of corrosion inhibition of copper by a new benzotriazole derivative in acid medium

Electrochimica Acta

Volumn 54, Issue 18, 2009, Pages 4345-4352

  Khaled, K F ^a  

^a Ain Shams University   (Egypt)

Author keywords

Corrosion inhibition of copper; Molecular dynamics simulations; Quantum Chemical calculations

Indexed keywords

ACID MEDIUMS; ADSORPTION ENERGIES; ATOMISTIC SIMULATIONS; BENZOTRIAZOLE; BENZOTRIAZOLE DERIVATIVES; BOND FORMATIONS; CONSTANT PHASE ELEMENTS; COPPER SURFACES; CORROSION INHIBITION OF COPPER; ELECTRIC DOUBLE LAYERS; ELECTROCHEMICAL TECHNIQUES; IMPEDANCE MEASUREMENTS; INHIBITION EFFICIENCIES; INHIBITION MECHANISMS; LOWER ENERGIES; MOLECULAR DYNAMICS SIMULATIONS; MONTE CARLO SIMULATIONS; POLARIZATION RESISTANCES; QUANTUM CHEMICAL CALCULATIONS; TIME CONSTANTS; WEIGHT LOSS;

BOND LENGTH; COPPER; COPPER CORROSION; CORROSION INHIBITORS; CORROSION PREVENTION; CORROSION RESISTANCE; CORROSION RESISTANT ALLOYS; GAS ADSORPTION; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MONTE CARLO METHODS; QUANTUM CHEMISTRY;

DYNAMICS;

EID: 65549117917     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2009.03.002     Document Type: Article

References (53)

1. In: Mansfeld II F. (Ed). Corrosion Mechanisms (1987), Marcel Dekker, New York, NY 119
2. Trabanelli G. Corrosion 47 (1991) 410
3. Jardy A., Legal Lasalle-Molin A., Keddam M., and Takenouti H. Electrochim. Acta 37 (1993) 2195
4. Tromans D. J. Electrochem. Soc. 145 (1998) L42
5. Walter R. Corrosion 29 (1973) 290
6. Brusic V., Frisch M.A., Eldridge B.N., Novak F.P., Kaufman F.B., Rush B.M., and Frankel G.S. J. Electrochem. Soc. 138 (1991) 2253
7. da Costa S.L.F., Agostinho S.M.L., and Nobe K. J. Electrochem. Soc. 140 (1993) 3483
8. Tromans D., and Sun R. J. Electrochem. Soc. 138 (1991) 3235
9. da Costa S.L.F.A., Agostinho S.M.L., and Rubim J.C. J. Electroanal. Chem. 295 (1990) 203
10. Melikos-Hukovic M., Babic R., and Marinovic A. J. Electrochem. Soc. 145 (1998) 4045
11. Wu J.S., and Nobe K. Corrosion 37 (1981) 223
12. da Costa S.L.F.A., Rubin J.C., and Agostinho S.M. J. Electroanal. Chem. 220 (1987) 259
13. Mutombo P., and Hackerman N. Anti-Corr. Method Mater. 45 (1998) 413
14. Martinez S. Mater. Chem. Phys. 77 (2003) 97
15. Bouklah M., Benchat N., Aouniti A., Hammouti B., Benkaddour M., Lagrenée M., Vezin H., and Bentiss F. Prog. Org. Coat. 51 (2004) 118
16. Özcan M., Dehri I., and Erbil M. J. Appl. Surf. Sci. 236 (2004) 155
17. Babić-Samardžija K., and Hackerman N. J. Solid State Electrochem. 9 (2005) 483
18. Ashassi-Sorkhabi H., Shaabani B., and Seifzadeh D. Electrochim. Acta 50 (2005) 3446
19. Cruz J., Pandiyan T., and García-Ochoa E. J. Electroanal. Chem. 583 (2005) 8
20. Benali O., Larabi L., Mekelleche S.M., and Yarek Y. J. Appl. Surf. Sci. 253 (2006) 1371
21. Gómez B., Likhanova N.V., Domínguez-Aguilar M.A., Martínez-Palou R., Vela A., José L., and Gazguez. J. Phys. Chem. B 110 (2006) 8928
22. Bartley J., Huynh N., Bottle S.E., Flitt H., Notoya T., and Schweinsberg D.P. Corros. Sci. 45 (2003) 81
23. Edwards A., Osborne C., Webster S., Klenerman D., Joseph M., Ostovar P., and Doyle M. Corros. Sci. 36 (1994) 315
24. Fitzwater S. Computer. In: Reynolds C.H., Holloway M.K., and Cox H.K. (Eds). Computer-Aided Molecular Design: Applications in Agrochemicals, Materials and Pharmaceuticals (1995), ACS, Washington, DC 316-325
25. Khaled K.F. Electrochim. Acta 53 (2008) 3484
26. Barriga J., Coto B., and Fernandez B. Tribol. Int. 40 (2007) 960
27. Sun H., Ren P., and Fried J.R. Comput. Theor. Polym. Sci. 8 (1998) 229
28. Roothaan C.C.J. New developments in molecular orbital theory. Rev. Mod. Phys. 23 (1951) 69
29. HyperChem, Hypercube Inc., Gainesville, 2002.
30. Leunberger D.G. Intruduction to Linear and Non-Linear Programming (1973), Addison-Wesley, Don Mills, Ont.
31. Lee H.P., and Nobe K. J. Electrochem. Soc. 133 (1986) 2035
32. Braun M., and Nobe K. J. Electrochem. Soc. 126 (1979) 1666
33. Crundwell F.K. Electrochim. Acta 37 (1992) 2707
34. Aben T., and Tromans D. J. Electrochem. Soc. 142 (1995) 398
35. Bacarella A.L., and Griess J.C. J. Electrochem. Soc. 120 (1973) 459
36. Larabi L., Benali O., Mekelleche S.M., and Harec Y. J. Appl. Surf. Sci. 253 (2006) 1371
37. Maccdonald J.R. Impedance Spectroscopy. 3rd ed. (1987), John Wiley & Sons, New York
38. Diard J.P., Le Canut J.M., Le Garrec B., and Mantella C. Electrochim. Acta 43 (1998) 2469
39. Juttner K. Electrochim. Acta 35 (1990) 1501
40. Growcock F.B., and Jasinski R.J. J. Electrochem. Soc. 136 (1989) 2310
41. Growcock F.B. Corros. Sci. 45 (1989) 1003
42. Wang C.T., Chen S.H., Ma H.Y., and Qi C.S. J. Appl. Electrochem. 33 (2003) 179
43. Fang Y., and Li J. J. Mol. Struct. (Theochem.) 593 (2002) 179
44. Zhao P., Liang Q., and Li Y. J. Appl. Surf. Sci. 252 (2005) 1596
45. Mehaute A.H., and Grepy G. Solid State Ionics 9-10 (1989) 17
46. Brusic V., Frisch M.A., Eldridge B.N., Novak F.P., Kauman F.B., Rush B.M., and Frankel G.S. J. Electrochem. Soc. 138 (1991) 2253
47. Antonijevic M.M., and Petrovic M.B. Int. J. Electrochem. Sci. 3 (2008) 1
48. Musiani M.M., and Mengoli G. J. Electroanal. Chem. 217 (1987) 187
49. Lewis G. Corrosion 34 (1978) 424
50. Youda R., Nishihara H., and Aramaki K. Electrochim. Acta 35 (1990) 1011
51. Aruchamy A., and Fujishima A. J. Electroanal. Chem. 266 (1989) 397
52. Zhang D., Gao L., and Zhou G. Corros. Sci. 46 (2004) 3031
53. Geerlings P., and De Proft F. Int. J. Mol. Sci. 3 (2002) 276