Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of Emilia sonchifolia Leaf Extract for Copper (CU131729) in Hydrochloric Acid
Copper corrosion inhibition by Emilia sonchifolia (ES) leaf extract has been studied in 2 M hydrochloric acid solution using electrochemical measurement, energy dispersive X-ray emission spectroscopy and surface examination techniques. Computational simulations were adopted to describe probable reactiveness of individual ES leaf constituents and mechanism of interaction with copper crystal. Results obtained from potentiodynamic polarization revealed a shift in corrosion potentials of copper (CU131729) to more positive potentials in the presence of ES leaf extract with increased effect as inhibitor concentration increased and also a decrease in both current densities suggesting a mixed type inhibitor characteristics with pronounced anodic protection. Surface elemental characterization revealed presence of the inhibitor species in the corrosion products formed on corroded CU131729 surface confirming the formation of complex chelating ligands through interactions with the metal surface. Quantum chemical calculations and molecular dynamics simulations were employed to theoretically analyse the interactions of individual ES leaf constituent with copper surface at the molecular level and obtained results revealed strong and spontaneous adsorption with high binding energies which affirms observed quality inhibition action. Quantum chemical descriptors such as energy of HOMO and LUMO, energy gap, number of transferred electrons, global hardness and softness, electrophilicity, and interaction energy were computed and discussed.
References
[1]
Khaled, K.F. (2010) Corrosion Control of Copper in Nitric Acid Solutions Using Some Amino Acids—A Combined Experimental Theoretical Study. Corrosion Science, 52, 3225-3234. https://doi.org/10.1016/j.corsci.2010.05.039
[2]
Zhang, Y.N., Zi, J.L., Zheng, M.S. and Zhu, J.W. (2008) Corrosion Behavior of Copper with Minor Alloying Addition in Chloride Solution. Journal of Alloys and Compounds, 462, 240-243. https://doi.org/10.1016/j.jallcom.2007.08.008
[3]
Mounir, F., El-Issami, S., Bazzi, L.H., Salghi, R., Bammou, L., Bazzi, L., Eddine, C.A. and Jbara, O. (2012) Copper Corrosion Behavior in Phosphoric Acid Containing Chloride and Its Inhibition by Artemisia Oil. IJRRAS, 13, 574.
[4]
Schweinsberg, D.P., Hope, G.A., Trueman, A. and Otieno-Alego, V. (1996) An Electrochemical and SERS Study of the Action of Polyvinylpyrrolidone and Polyethylenimine as Inhibitor for Copper in Aerated H2SO4. Corrosion Science, 38, 587-599. https://doi.org/10.1016/0010-938X(95)00148-D
[5]
Chahla, R., Masmoudi, M., Abdelhedi, R., Sabot, R., Jeannin, M. and Bouaziz, M. (2016) Philippe Refait Olive Leaf Extract as Natural Corrosion Inhibitor for Pure Copper in 0.5 M NaCl Solution: A Study by Voltammetry around OCP. Journal of Electroanalytical Chemistry, 769, 53-61. https://doi.org/10.1016/j.jelechem.2016.03.010
[6]
Arukalam, I.O., Madufor, I.C., Ogbobe, O. and Oguzie, E.E. (2014) Acidic Corrosion Inhibition of Copper by Hydroxyethyl Cellulose. British Journal of Applied Science & Technology, 4, 1445-1460. https://doi.org/10.9734/BJAST/2014/5463
[7]
El-Sayed, M.S. (2012) Corrosion Behavior of Copper in 0.5 M Hydrochloric Acid Pickling Solutions and Its Inhibition by 3-Amino-1,2,4-triazole and 3-Amino-5-mercapto-1,2,4-triazole. International Journal of Electrochemical Science, 7, 1884-1897.
[8]
Finsgar, M., Lesar, A., Kokalj, A. and Milosev, I. (2008) A Comparative Electrochemical and Quantum Chemical Calculation Study of BTAH and BTAOH as Copper Corrosion Inhibitors in near Neutral Chloride Solution. Electrochimica Acta, 53, 8287-8297. https://doi.org/10.1016/j.electacta.2008.06.061
[9]
Avwiri, G.O. and Osarolube, E. (2010) Inhibitive Action of Aloe Vera on the Corrosion of Copper and Brass in Different Media. Scientia Africana, 9, 51-58.
[10]
El Warraky, A., El Shayeb, H.A. and Sherif, E.S.M. (2004) Pitting Corrosion of Copper in Chloride Solutions. Anti-Corrosion Methods and Materials, 51, 52-61. https://doi.org/10.1108/00035590410512735
[11]
Antonijevi, M.M. and Radovanovic, M.B. (2010) Methods for Characterization of Protective Films on the Copper Surface—A Review. Zastita Materijala, 51, 111-122.
[12]
Muayta, A.K., Bitar, M.B. and Al-Abdallah, M.M. (2001) Inhibition Effect of Some Surface Active Agents on Dissolution of Copper in Nitric Acid. British Corrosion Journal, 36, 133-141. https://doi.org/10.1179/000705901101501569
[13]
Scendo, M. and Uznanska, J. (2011) The Effect of Ionic Liquids on the Corrosion Inhibition of Copper in Acidic Chloride Solutions. International Journal of Corrosion, 2011, Article ID: 718626. https://doi.org/10.1155/2011/718626
[14]
Tomic, M.V., Pavlovic, M.G. and Jotanovic, M. (2002) Protection of Copper and Its Alloys Using Corrosion Inhibitors: Literature Review. Quality of Life, 1, 72-89. https://doi.org/10.7251/QOL1001072T
[15]
Elkashlan, H.M. and Ahmed, A.M. (2012) Anodic Corrosion of Copper in Presence of Organic Compounds. International Journal of Electrochemical Science, 7, 5779-5797.
[16]
Oguike, R.S. and Oni, O. (2019) Inhibition Potentials of Argemone mexicana on Stainless Steel (AISI 316L) Corrosion in Hydrochloric Acid Solution. Science Forum, 19, 56-65. https://doi.org/10.5455/sf.52644
[17]
Obot, I.B., Ebenso, E.E. and Kabanda, M.M. (2013) Metronidazole as Environmentally Safe Corrosion Inhibitor for Mild Steel in 0.5 M HCl: Experimental and Theoretical Investigation. Journal of Environmental Chemical Engineering, 1, 431-439. https://doi.org/10.1016/j.jece.2013.06.007
[18]
Mokhtar, B., Abdelkader, M., Nora, B. and Mahieddine, N. (2019) Mild Steel Corrosion Inhibition by Parsley (Petroselium sativum) Extract in Acidic Media. Egyptian Journal of Petroleum, 28, 155-159.
[19]
Khaled, K.F. (2009) Monte Carlo Simulations of Corrosion Inhibition of Mild Steel in 0.5 M Sulphuric Acid by Some Green Corrosion Inhibitors. Journal of Solid State Electrochemistry, 13, 1743-1756. https://doi.org/10.1007/s10008-009-0845-y
[20]
Oguike, R.S. and Oni, O. (2014) Computational Simulation and Inhibitive Properties of Amino Acids for Mild Steel Corrosion: Adsorption in Gas Phase onto Fe(110). International Journal of Research in Chemistry and Environment, 4, 177-186.
[21]
Guoa, L., Zhub, S. and Zhang, S. (2015) Experimental and Theoretical Studies of Benzalkonium Chloride as an Inhibitor for Carbon Steel Corrosion in Sulfuric Acid. Journal of Industrial and Engineering Chemistry, 24, 174-180. https://doi.org/10.1016/j.jiec.2014.09.026
[22]
Khaled, K.F., Fadl-Allah, S.A. and Hammouti, B. (2009) Some Benzotriazole Derivatives as Corrosion Inhibitors for Copper in Acidic Medium: Experimental and Quantum Chemical Molecular Dynamics Approach. Materials Chemistry and Physics, 117, 148-155. https://doi.org/10.1016/j.matchemphys.2009.05.043
[23]
Dreizler, R.M. and Gross, E.K.U. (1990) Density Functional Theory. Springer, Berlin. https://doi.org/10.1007/978-3-642-86105-5
[24]
Oguike, R.S., Kolo, A.M., Ayuk, A.A., Eze, F.C. and Oguzie, E.E. (2015) Electrochemical and Adsorption Behaviour of Diospyros mespiliformis on Annealed Carbon Steel Corrosion in Hydrochloric Acid. American Chemical Science Journal, 8, 1-12. https://doi.org/10.9734/ACSJ/2015/16679
[25]
Oguike, R.S. and Oni, O. (2019) Natural Products for Material Protection: Passivation Enhancing Potentials of Spondias mombin as AISI 316L Corrosion Inhibitor in 3.5% NaCl Solution. Global Journal of Science Frontier Research (B), 19, 33-44. https://doi.org/10.5455/sf.52644
[26]
Oguike, R.S., Kolo, A.M., Shibdawa, A.M. and Gyenna, H.A. (2013) Density Functional Theory of Mild Steel Corrosion in Acidic Media Using Dyes as Inhibitor: Adsorption onto Fe(110) from Gas Phase. ISRN Physical Chemistry, 2013, Article ID: 175910. https://doi.org/10.1155/2013/175910
[27]
Xu, M. and Dewald, H.D. (2005) Impedance Studies of Copper Foil and Graphite-Coated Copper Foil Electrodes in Lithium-Ion Battery Electrolyte. Electrochimica Acta, 50, 5473-5478. https://doi.org/10.1016/j.electacta.2005.03.051
[28]
Kilincceker, G. and Galip, H. (2008) The Effects of Acetate Ions (CH3COO-) on Electrochemical Behavior of Copper in Chloride Solutions. Materials Chemistry and Physics, 110, 380-386. https://doi.org/10.1016/j.matchemphys.2008.02.026
[29]
Kosec, T., Kek-Merl, D. and Milosev, I. (2008) Impedance and XPS Study of Benzotriazole Films Formed on Copper, Copper-Zinc Alloys and Zinc in Chloride Solution. Corrosion Science, 50, 1987-1997. https://doi.org/10.1016/j.corsci.2008.04.016
[30]
Marija, B., Mihajlovic, P. and Antonijevic, M.M. (2015) Copper Corrosion Inhibitors Period 2008-2014: A Review. International Journal of Electrochemical Science, 10, 1027-1053.
[31]
Ituen, E., Mkpenie, V. and Dan, E. (2019) Surface Protection of Steel in Oil Well Acidizing Fluids Using L-Theanine-Based Corrosion Inhibitor Formulations: Experimental and Theoretical Evaluation. Surfaces and Interfaces, 16, 29-42. https://doi.org/10.1016/j.surfin.2019.04.006
[32]
Madkour, L.H. and Elroby, S.K. (2015) Inhibitive Properties, Thermodynamic, Kinetics and Quantum Chemical Calculations of Polydentate Schiff Base Compounds as Corrosion Inhibitors for Iron in Acidic and Alkaline Media. International Journal of Industrial Chemistry, 6, 165-184. https://doi.org/10.1007/s40090-015-0039-7
[33]
Oguzie, E.E., Li, J., Liu, Y., Chen, D., Li, Y., Yang, K. and Wang, F. (2010) The Effect of Cu Addition on the Electrochemical Corrosion and Passivation Behavior of Stainless Steels. Electrochimica Acta, 55, 5028-5035. https://doi.org/10.1016/j.electacta.2010.04.015
[34]
Singh, A.K., Chaudharyb, V. and Sharma, A. (2012) Electrochemical Studies of Stainless Steel Corrosion in Peroxide Solutions. Portugaliae Electrochimica Acta, 30, 99-109. https://doi.org/10.4152/pea.201202099
[35]
Madkour, L.H. and Elshamy, I.H. (2016) Experimental and Computational Studies on the Inhibition Performances of Benzimidazole and Its Derivatives for the Corrosion of Copper in Nitric Acid. International Journal of Industrial Chemistry, 7, 195-221. https://doi.org/10.1007/s40090-015-0070-8
[36]
El-Etre, A.Y., Abdallah, M. and El-Tantawy, Z.E. (2005) Corrosion Inhibition of Some Metals Using Lawsonia Extract. Corrosion Science, 47, 385-395. https://doi.org/10.1016/j.corsci.2004.06.006
[37]
Herrag, L., Hammouti, B., Elkadiri, S., Aouniti, A., Jama, C., Vezin, H. and Bentiss, F. (2010) Adsorption Properties and Inhibition of Mild Steel Corrosion in Hydrochloric Solution by Some Newly Synthesized Diamine Derivatives: Experimental and Theoretical Investigations. Corrosion Science, 52, 3042-3051. https://doi.org/10.1016/j.corsci.2010.05.024
[38]
Khaled, K.F., Abdel-Shafi, N.S. and Al-Mobarak, N.A. (2012) Understanding Corrosion Inhibition of Iron by 2-Thiophenecarboxylic Acid Methyl Ester: Electrochemical and Computational Study. International Journal of Electrochemical Science, 7, 1027-1044.
[39]
Friesner, R.A. (2005) Ab Initio Quantum Chemistry: Methodology and Applications. PNAS, 102, 6648-6653. https://doi.org/10.1073/pnas.0408036102
[40]
Lin, N., Zhang, H., Wei, F., Wu, S., Cao, X. and Liu, P. (2005) Corrosion Inhibition of Iron in Acidic Solutions by Alkyl Quaternary Ammonium Halides: Correlation between Inhibition Efficiency and Molecular Structure. Applied Surface Science, 252, 1634-1642. https://doi.org/10.1016/j.apsusc.2005.02.134
[41]
Oguzie, E.E., Wang, S.G., Li, Y. and Wang, F.H. (2009) Influence of Iron Microstructure on Corrosion Inhibitor Performance in Acidic Media. The Journal of Physical Chemistry C, 113, 8420-8429. https://doi.org/10.1021/jp9015257
[42]
Yang, W. and Parr, R.G. (1985) Hardness, Softness and the Fukui Function in the Electronic Theory of Metals and Catalysis. Proceedings of the National Academy of Sciences of the United States of America, 82, 6723-6726. https://doi.org/10.1073/pnas.82.20.6723
[43]
Wang, D.X. and Xiao, H.M. (2000) Quantum Chemical Calculation on Chemical Adsorption Energy of Imidazolines and Iron Atom. Journal of Molecular Science, 16, 102-105.
[44]
Rodrıguez-Valdez, L.M., Martinez-Villafane, A. and Glossman-Mitnik, D. (2005) Computational Simulation of the Molecular Structure and Properties of Heterocyclic Organic Compounds with Possible Corrosion Inhibition Properties. Journal of Molecular Structure: THEOCHEM, 713, 65-70. https://doi.org/10.1016/j.theochem.2004.10.036
[45]
Bartley, J., Huynh, N., Bottle, S.E., Flitt, H., Notoya, T. and Schweinsberg, D.P. (2003) Computer Simulation of the Corrosion of Copper in Acidic Solution by Alkyl Esters of 5-Carboxybenzotriazole. Corrosion Science, 45, 81-96. https://doi.org/10.1016/S0010-938X(02)00051-3
[46]
Oguike, R.S., Ayuk, A.A., Eze, F.C. and Oguzie, E.E. (2016) Experimental and Theoretical Investigation of Vitex Doniana Leaves Extract as Corrosion Inhibitor for Copper in 3.5% NaCl Solution. Journal of Basic and Applied Research International, 17, 184-197.
[47]
Yadav, D.K., Maiti, B. and Quraishi, M.A. (2010) Electrochemical and Quantum Chemical Studies of 3,4-Dihydropyrimidin-2(1H)-ones as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Solution. Corrosion Science, 52, 3586-3598. https://doi.org/10.1016/j.corsci.2010.06.030
