Theoretical and experimental studies of the corrosion behavior of some thiazole derivatives toward mild steel in sulfuric acid media


  • Avni Berisha University of Prishtina, Prishtina, Kosovo
  • Fetah Podvorica University of Prishtina, Prishtina, Kosovo
  • Valbonë Mehmeti University of Prishtina, Prishtina, Kosovo
  • Fidan Syla University of Prishtina, Prishtina, Kosovo
  • Debatik Vataj University of Prishtina, Prishtina, Kosovo



Corrosion inhibition, cathodic inhibitors, thiazole derivatives, potentiodynamic measurements.


The corrosion behavior of iron in diluted aqueous sulfuric acid medium has been studied in the presence and absence of 6-ethoxybenzo[d]thiazol-2-amine (EBT), 5-bromothiazol-2-amine (BTA) and 4,5-dimethylthiazol-2-amine (DTA). Potentiodynamic measurements showed the shift of corrosion potential towards a more negative potential indicating that these compounds mostly act as cathodic inhibitors due to their adsorption on the iron surface. The adsorbed film of these molecules hinders the transport of metal ions from the metal to the solution and also retards hydrogen evolution reaction by acting as a physical barrier. The molecules were also studied by density functional theory (DFT), using the B3LYP functional in order to determine the relationship between molecular structure and the corrosion inhibition efficiencies.


R. Plankaert, Surface Coating. In Ullman’s Encyclopedia of Industrial Chemistry, 5th Ed.; VCH: Weinheim, 1994; Vol. A25.

G. Trabanelli, Inhibitors – An Old Remedy for a New Challenge, Corrosion, 47, 410–419 (1991).

P. B. Raja, M. G. Sethuraman, Natural products as corrosion inhibitor for metals in corrosive media, Mater. Lett., 62, 113–116 (2008).

M. Lagrenée, B. Mernari, M. Bouanis, M. Trais-nel, F. Bentiss. Corros. Sci., 44, 573–588 (2002).

Y. I. Kuznetsov, Organic Inhibitors of Corrosion of Metals, 1st Edition, Published by Springer, Einbeck, Germany 1996.

M. Ash, I. Ash, Handbook of Corrosion Inhibitors, Synapse Information Resources, Endicott, N.Y., 2011.

G. Gunasekaran, R.Natarajan, V. S. Muralidharan, N. Palaniswamy, B. V. App Rao, Inhibition by phosphonic acids, Anti-Corros. Methods Mater., 44, 248–259 (1997).

J. G. Van Alsten, Self-Assembled Monolayers on Engineering Metals: Structure, Derivatization, and Utility, Langmuir, 15, 7605–7614 (1999).

a) A. Chausse, M. M. Chehimi, J. Pinson, F. Podvorica and C. Vautrin-Ul, The Electrochemical Reduction of Aryldiazonium Salts on Iron electrodes. Their effects on Corrosion, Chem. Mater., 14, 392–400 (2002). b) M. C. Bernard, A. Chausse, E. Deliry, M. M. Chehimi, J. Pinson, F. Podvorica and C. Vautrin-Ul, Organic layers bonded to industrial, coinage and noble metals through electrochemical reduction of aryldiazonium salts, Chem. Mater., 15, 3540–3552 (2003). c) F.I. Podvorica, F. Kanoufi, J. Pinson, C. Combellas, spontaneous grafting of diazoates on metals, Electrochim. Acta, 54, 2164-2170 (2009). d) A. Berisha, C. Combellas, F. Kanoufi, J. Pinson, S. Ustaze, F. I. Podvorica, Physisorption vs grafting of aryldiazonium salts onto iron: A corrosion study., Electrochim.Acta, 56, 10672–10676 (2011).

a) C. Combellas, De-en Jiang, F. Kanoufi, J. Pin-son, and F. I. Podvorica, Steric effects in the reaction of aryl radicals on surfaces, Langmuir, 25, 286–293 (2009), b) A. Berisha, C. Combellas, F. Kanoufi, J. Pinson, S. Ustaze, F. I. Podvorica, Indirect Grafting of Acetonitrile Derived Films on Metallic Substrates, Chem. Mater. 22, 2962–2969 (2010).

a) S. A. Refaey, F. Taha, A. Abd El-Malak, Inhibition of stainless steel pitting corrosion in acidic medium by 2-mercaptobenzoxazole, Appl. Surf. Sci., 236, 175–185 (2004). b) X. Li, S. Deng, H. Fu, G. Mu, Inhibition effect of 6-benzyl¬aminopurine on the corrosion of cold rolled steel in H2SO4 solution, Corros. Sci, 51, 620–634 (2009). c) P. C. Okafor, X. Liu, Y. G. Zheng, Corrosion inhibition of mild steel by ethylamino imidazoline derivative in CO2-saturated solution, Corros. Sci., 51, 761–768 (2009).

G. Gece, The use of quantum chemical methods in corrosion inhibitor studies, Corros. Sci., 50, 2981–2992 (2008).

H. Ashassi-Sorkhabi, B. Shabani, D. Seifzadeh, Corrosion inhibition of mild steel by some Schiff base compounds in hydrochloric acid, Appl. Surf. Sci., 239, 154–164 (2005).

H. Ashassi-Sorkhabi, B. Shabani, D. Seifzadeh, Effect of some pyrimidinic Schiff bases on the corrosion of mild steel in hydrochloric acid solution, Electrochem. Acta, 50, 3446–3452 (2005).

S. A. Umoren, I. B. Obot, E. E. Ebenso, N. O. Obi-Egbedi, The Inhibition of aluminum corrosion in hydrochloric acid solution by exudate gum from Raphia hookeri, Desalination, 247, 561–572 (2009).

R. M. Issa, M. K. Awad, F. M. Atlam, Quantum chemical studies on the inhibition of corrosion of copper surface by substituted uracils, Appl. Surf. Sci., 255, 2433 (2008).

M. M.Kabanda, L. C. Murulana, E. E. Ebenso, Theoretical studies on phenazine and related compounds as corrosion inhibitors for mild steel in sulfuric acid medium, Int. J. Electrochem. Sci., 7, 7179–7205 (2012).

K. F. Khaled, Molecular simulation, quantum chemical calculations and electrochemical studies for inhibition of mild steel by triazoles, Electrochem. Acta, 53, 3484–3492 (2008).

B. Gomez, N. V. Likhanova, M. A. Dominguez-Aguilar, R. Martinez-Palou, A. Vela, J. L. Gazquez, Quantum Chemical Study of the Inhib-itive Properties of 2-Pyridil-Azoles, J. Phys. Chem. B, 110, 8928–8934 (2006).

P. Geerlings, F. De Proft, W. Langenaeker, Con-ceptual density functional theory, Chem. Rev., 103, 1793–1874 (2003).

Pauling, L. The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry, Cornell University Press, 1960.

P. Senet, Chemical hardness of atoms and mole-cules from frontier orbitals, Chem. Phys. Lett., 275, 527–532 (1997).

J. B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian, Inc., Pittsburgh, PA, 1996.

J. O’M. Bockris, B. Yang, The mechanism of corrosion inhibition of iron in acid solution by acetylenic alcohols, J. Electrochem. Soc., 138, 2237–2252 (1991).

I. B. Obot, N. O. Obi-Egbedi, Anti-corrosive properties of xanthone on mild steel corrosion in sulfuric acid: Experimental and theoretical investigations, Curr. Appl. Phys., 11, 382 (2011).

C. Cao, On electrochemical techniques for inter-face inhibitor research, Corros. Sci., 38, 2073–2082 (1996).

N. O. Eddy, Experimental and theoretical studies on some amino acids and their potential activity as inhibitors for the corrosion of mild steel, part 2, J. Adv. Res., 2, 35–47 (2011).

N. O. Eddy, F. E. Awe, C. E. Gimba, N. O. Ibisi, E. E. Ebenso, QSAR, Experimental and computational chemistry simulation studies on the inhibition potentials of some amino acids for the corrosion of mild steel in 0.1 M HCl, Int. J. Electrochem. Sci., 6, 931–957 (2011).

K. F. Khaled, M. A. Amin, Corrosion monitoring of mild steel in sulfuric acid solutions in presence of some thiazole derivatives – Molecular dynamics, chemical and electrochemical studies, Corros. Sci., 51, 1964–1975 (2009).

A. S. Fouda, A. S. Ellithy, Inhibition effect of 4-phenylthiazole derivatives on corrosion of 304L stainless steel in HCl solution, Corros. Sci., 51, 868–875 (2009).

A.Yurt, S. Ulutas, H. Dal, Electrochemical and theoretical investigation on the corrosion of aluminum in acidic solution containing some Schiff bases, Appl. Surf. Sci., 253, 919–925 (2006).

N. O. Obi-Egbedi, I. B. Obot, M. I. El-Khaiary, Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthenes and its derivatives on mild steel in sulfuric acid, J. Mol. Struct., 1002, 86-96, (2011).

L. M. Rodriguez-Valdez, W. Villamisar, M. Casales, J. G. Gonzalez-Rodriguez, A. Martinez-Villafane, L. Martinez, D. Glossman-Mitnik, Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors, Corros. Sci., 48, 4053–4064 (2006).

A. Maniavel, S. Ramkumar, J. J. Wu, A. M. Asiri, S. Anandan, Exploration of (S)-4,5,6,7-tetrahydro¬benzo[d]thiazole-2,6-diamine as feasible corrosion inhibitor for mild steel in acidic media, J. of Environ. Chem. Eng., 2, 463-470 (2014).




How to Cite

Berisha, A., Podvorica, F., Mehmeti, V., Syla, F., & Vataj, D. (2015). Theoretical and experimental studies of the corrosion behavior of some thiazole derivatives toward mild steel in sulfuric acid media. Macedonian Journal of Chemistry and Chemical Engineering, 34(2), 287–294.