Theoretical and Experimental Study of Corrosion Behavior of Carbon Steel Surface in 3.5% NaCl and 0.5 M HCl with Different Concentrations of Quinolin-2-One Derivative

Main Article Content

Rehab Majid Kubba
Mustafa Alaa Mohammed


A theoretical and protection study was conducted of the corrosion behavior of carbon steel surface with different concentrations of the derivative (Quinolin-2-one), namely 7-Ethyl-4-methyl-1-[(4-nitro-benzylidene)-amino]-1H-quinolin-2-one (EMNQ2O). Theoretically, Density Functional Theory (DFT) of B3LYP/ 6-311++G/ 2d, 2p level was carried out to calculate the geometrical structure, physical properties and chemical inhibition chemical parameters, with the local reactivity in order to predict both the reactive centers and to know the possible sites of nucleophilic and electrophilic attacks, in vacuum and two solvents (DMSO and H2O), all at the equilibrium geometry. Experimentally, the inhibition efficiencies (%IE) in (3.5% NaCl) and (0.5M HCl) solutions were studied using potentiometric polarization measurements. The results revealed that the (%IE) in the salty solution (94.98%) is greater than that in the acidic solution (81.40%). The thermodynamic parameters obtained, supported the physical adsorption mechanism and the adsorption followed the Langmuir adsorption isotherm. The surface changes of the carbon steel were studied using SEM (Scanning Electron Microscopy) and AFM (Atomic Force Microscopy) techniques.


Download data is not yet available.

Article Details

How to Cite
Kubba RM, Mohammed MA. Theoretical and Experimental Study of Corrosion Behavior of Carbon Steel Surface in 3.5% NaCl and 0.5 M HCl with Different Concentrations of Quinolin-2-One Derivative. Baghdad Sci.J [Internet]. [cited 2021Aug.3];19(1):0105. Available from:


David A. Predicting the performance of organic corrosion inhibitors. Metals. 2017;7(553):1-8.

El-Bakri Y, Boudalia M, Echihi S, Harmaoui A, Sebhaoui J, Elmsellem H, et al. Performance and theoretical study on corrosion inhibition of new Triazolopyrimidine derivative for carbon steel in hydrochloric acid. J. Mat. Envir. Sci. 2017;8(2):378-388.

Yadav M, Kumar S, Behera D, Bahadur I, Ramjugernath D. Electrochemical and quantum chemical studies on adsorption and corrosion inhibition performance of quinoline-thiazole derivatives on mild steel in hydrochloric acid solution. Int. J. Electrochem Sci. 2014;9:5235–5257.

Louadi YE, Abrigach F, Bouyanzer A, Touzani R, El Assyry A, Zarrouk A, et al. Theoretical and Experimental Studies on the Corrosion Inhibition Potentials of Two Tetrakis Pyrazole Derivatives for Mild Steel in 1.0M HCl. Portug. Electrochim. Acta. 2017;35(3):159-178.

Kitagawa W, Tamura T. A Quinoline. antibiotic from rhodococcus erythropolis JCM 6824. J. Antibio. 2008;61(11): 680–682.

Kubba RM, Challoob DA. Hussen SM. Quantum mechanical and electrochemical study of new isatin derivative as corrosion inhibitor for carbon steel in 3.5 % NaCl. Int. J. Sci. Res. 2017; 6 (7);1656-1669.

GneDy PO, PALMER R, RoocEne H, Svrrn P. Isolation of aeromonass almonicidaS trains resistant to the Quinoline antibiotics. Bull. Eur. Ass. Fish parhol. 1987;7(2):43.

Fu HG, Li ZW, Hu XX, Si SY, You XF, Tang S, et al. Synthesis and biological evaluation of quinoline derivatives as a novel class of broad-spectrum antibacterial agents. Molecules. 2019 Jan;24(3):548..

Singh P, Srivastava V, Quraishi MA. Novel quinoline derivatives as green corrosion inhibitors for mild steel in acidic medium: electrochemical, SEM, AFM, and XPS studies. J. Mol. Liq. 2016;216:164–173.

Elyoussfi1 A, Dafali1 A, Elmsellem1 H, Bouzian Y, bouhfid R, Zarrouk1 A, et al. Some quinoline derivatives: Synthesis and comparative study towards corrosion of mild steel in 0.5M H2SO4. Der Phar. Chem. 2016;8(4):226-236.

Naik UJ, Jha PC, Lone MY, Shah RR, Shah NK. Electrochemical and theoretical investigation of the inhibitory effect of two Schiff bases of benzaldehyde for the corrosion of aluminium in hydrochloric acid. J. Mol. Str. 2016;1125:63–72.

Saha SK, Ghosh P, Hens A, Murmu NC, Banerjee P. Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor. Physica E. 2015;66:332–341.

Sundaram RG, Sundaravadivelu M. Electrochemical and surface Investigation of quinoline-8-sulphonyl chloride as corrosion inhibitor for mild steel in acidic medium. Int J Chem Tech Res. 2016;9:527–539.

Luma SA, Rana AA, Rana SA, Mohammed RA, Redha IA. Synthesis of new 7-ethyl- 4-methy l-1-[(4-nitrophenyl)- amino]- 1H- quinolin- 2-one quinoline derivatives. Scientific International Conference , College of Science, AL-Nahrain Univesity. 2017;357:0–37.

Kubba RM, Al-Majidi SMH, Ahmed AH. Synthesis, characterization and quantum chemical studies of inhibition ability of novel 5-nitro isatin derivatives on the corrosion of carbon steel in sea water. Iraq. J. Sci., 2019; 60(4):688-705.

Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, et al. 01 Inc. Wallingford CT. 2009.

Kubba RM. Al-Majidi SMH, Ahmed AH. Synthesis, identification, theoretical and experimental studies for carbon steel corrosion inhibition in seawater for new urea and thiourea derivatives linkage to 5-nitro isatin moiety. Der Phar. Chem. 2018;10(7):86-99.

Lee C, Yang W, Parr RG. Development of the Colle-Salvetti correlation energy formula into a functional of the electron density. Phys. Rev. 1988;B 41:785-789.

Parr RG. Yang W. Density Functional Theory of Atoms and Molecules. 1ST Ed., Oxford University Press: New York, 1989.

Kubba RM, Alag AS. Experimental and theoretical evaluation of new quinazolinone derivative as organic corrosion inhibitor for carbon steel in 1M HCl solution. IJSR. 2017;6(6):1832-1843.

Duboscq J, Sabot R, Jeannin M, Refait Ph. Localized corrosion of carbon steel in seawater: Processes occurring in cathodic zones. Mat. Corr. 2019;70(6):941-1140.

Fleming I. Frontier Orbitals and Organic Chemical Reactions. John Wiley and Sons, NewYork, 1976.

Koopmans T. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms. Physica. 1933;1:104-113.

Parr RG, Donnelly RA, Levy M, Palke WE. Empirical evaluation of chemical hardness. J. Chem. Phys. 1978;68:3801-3807.

Kubba RM, Mohammed M. Theoretical studies of corrosion inhibition efficiency of two new N-phenyl-ethylidene-5-bromo isatin derivatives. Iraq. J. Sci. 2016;57(2B):1041-1051.

Singh A, Ansari KR, Lin Y, Quraishi MA, Lgaz H, Chung IM. Corrosion inhibition performance of imidazolidine derivatives for J55 pipeline steel in acidic oilfield formation water: Electrochemical, surface and theoretical studies. J. Taiw. Inst. Chem. Eng. 2019;95:341-356.

Kubba RM, Mohammed M. Synthesis, identification, theoretical and experimental studies of carbon steel corrosion inhibition in seawater by some new diazine derivatives linked to 5-nitroisatin moiety. Iraq. J. Sci. 2018;59(3B):1347-1365.

Anbarasi CM, Rajendran S. Surface protection of carbon steel by butanesulphonic acid-zinc ion system. Res. J. Chem. Sci. 2012;2(12):21-26.

Liu Y, Wang Z, Wei Y. Influence of seawater on the carbon steel initial corrosion behavior. Int. J. Electrochem. Sci.2019;14:1147–1162.

Ahmed AH, Al-Majidi SMH, Kubba RM. Surface protection of carbon steel by butane sulphonic acid-zinc ion system. J. Glob. Pharma Tech. 2018;10(05):369-383.