Corrosion mitigation of carbon steel using triazole Mannich base derivatives: Correlation of electrochemical studies with quantum chemical calculations

References

• Abd El Rehim, S. S., Sayyah, S. M., El-Deeb, M. M., Kamal, S. M., & Azooz, R. E. (2016). Adsorption and corrosion inhibitive properties of P(2-aminobenzothiazole) on mild steel in hydrochloric acid media. International Journal of Industrial Chemistry, 7(1), 39–52. doi:10.1007/s40090-015-0065-5
   Google Scholar
• AitHaddou, B., Chebabe, D., Dermaj, A., Benassaoui, H., Assyry, A., Hajjaji, N., … Srhiri, A. (2016). Comparative study of low carbon steel corrosion inhibition in 1M HCl by 1,2,4-triazole-5-thione derivatives. Journal of Materials and Environmental Science, 7, 2000–2191.
   Google Scholar
• Akinbulumo, O. A., Odejobi, O. J., & Odekanle, E. L. (2020). Thermodynamics and adsorption study of the corrosion inhibition of mild steel by Euphorbia heterophylla L. extract in 1.5 M HCl. Results in Materials, 5, 100074. doi:10.1016/j.rinma.2020.100074
   Google Scholar
• Akkermans, R. L. C., Spenley, N. A., & Robertson, S. H. (2013). Monte Carlo methods in materials studio. Molecular Simulation, 39(14-15), 1153–1164. doi:10.1080/08927022.2013.843775
   Web of Science ®Google Scholar
• Al-Amiery, A., Kadhum, A., Alobaidy, A. H., Mohamad, A., & Hoon, P. (2014). Novel corrosion inhibitor for mild steel in HCl. Materials (Basel, Switzerland), 7(2), 662–672. doi:10.3390/ma7020662
   PubMed Web of Science ®Google Scholar
• Al-Amiery, A. A., Mohamad, A. B., Kadhum, A. A. H., Shaker, L. M., Isahak, W. N. R. W., & Takriff, M. S. (2022). Experimental and theoretical study on the corrosion inhibition of mild steel by nonanedioic acid derivative in hydrochloric acid solution. Scientific Reports, 12(1), 4705. doi:10.1038/s41598-022-08146-8
   PubMed Web of Science ®Google Scholar
• Al-Amiery, A., Salman, T. A., Alazawi, K. F., Shaker, L. M., Kadhum, A. A. H., & Takriff, M. S. (2020). Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques. International Journal of Low-Carbon Technologies, 15(2), 202–209. doi:10.1093/ijlct/ctz074
   Web of Science ®Google Scholar
• Al-Amiery, A., Shaker, L. M., Kadhum, A. A. H., & Takriff, M. S. (2020). Synthesis, characterization and gravimetric studies of novel triazole-based compound. International Journal of Low-Carbon Technologies, 15(2), 164–170. doi:10.1093/ijlct/ctz067
   Web of Science ®Google Scholar
• Allangawi, A., Sajid, H., Ayub, K., Gilani, M. A., Akhter, M. S., & Mahmood, T. (2023). High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective. Computational and Theoretical Chemistry, 1220, 113990. doi:10.1016/j.comptc.2022.113990
   Web of Science ®Google Scholar
• Al-Mobarak, N. A., Khaled, K. F., Hamed, M. N. H., & Abdel-Azim, K. M. (2011). Employing electrochemical frequency modulation for studying corrosion and corrosion inhibition of copper in sodium chloride solutions. Arabian Journal of Chemistry, 4(2), 185–193. doi:10.1016/j.arabjc.2010.06.036
   Web of Science ®Google Scholar
• Anusuya, N., Sounthari, P., Saranya, J., Parameswari, K., & Chitra, S. (2015). Quantum chemical study on the corrosion inhibition property of some heterocyclic azole derivatives. Oriental Journal of Chemistry, 31(3), 1741–1750. http://www.orientjchem.org/vol31no3/quantum-chemical-study-on-the-corrosion-inhibition-property-of-some-heterocyclic-azole-derivatives/. (accessed October 24, 2022). doi:10.13005/ojc/310355
   Web of Science ®Google Scholar
• Aoun, S. B. (2017). On the corrosion inhibition of carbon steel in 1 M HCl with a pyridinium-ionic liquid: Chemical, thermodynamic, kinetic and electrochemical studies. RSC Advances, 7, 36688–36696. doi:10.1039/C7RA04084A
   Web of Science ®Google Scholar
• Bala, S., Sharma, N., Kajal, A., Kamboj, S., & Saini, V. (2014). Mannich bases: An important pharmacophore in present scenario. International Journal of Medicinal Chemistry, 2014, 191072. () doi:10.1155/2014/191072
   PubMedGoogle Scholar
• Banik, B. K., Sahoo, B. M., Kumar, B. V. V. R., Panda, K. C., Jena, J., Mahapatra, M. K., & Borah, P. (2021). Green synthetic approach: An efficient eco-friendly tool for synthesis of biologically active oxadiazole derivatives. Molecules, 26, 1163. doi:10.3390/molecules26041163
   PubMed Web of Science ®Google Scholar
• Cui, M., Yu, Y., & Zheng, Y. (2021). Effective corrosion inhibition of carbon steel in hydrochloric acid by dopamine-produced carbon dots. Polymers, 13, 1923. doi:10.3390/polym13121923
   PubMed Web of Science ®Google Scholar
• Ebadi, M., Basirun, W. J., Khaledi, H., & Ali, H. M. (2012). Corrosion inhibition properties of pyrazolylindolenine compounds on copper surface in acidic media. Chemistry Central Journal, 6(1), 163. doi:10.1186/1752-153X-6-163
   PubMedGoogle Scholar
• Ech-Chihbi, E., Nahlé, A., Salim, R., Benhiba, F., Moussaif, A., El-Hajjaji, F., … Zarrouk, A. (2020). Computational, MD simulation, SEM/EDX and experimental studies for understanding adsorption of benzimidazole derivatives as corrosion inhibitors in 1.0 M HCl solution. Journal of Alloys and Compounds, 844, 155842. doi:10.1016/j.jallcom.2020.155842
   Web of Science ®Google Scholar
• El Ouadi, Y., El Fal, M., Hafez, B., Manssouri, M., Ansari, A., Elmsellem, H., … Bendaif, H. (2020). Physisorption and corrosion inhibition of mild steel in 1 M HCl using a new pyrazolic compound: Experimental data & quantum chemical calculations. Materials Today: Proceedings, 27, 3010–3016. doi:10.1016/j.matpr.2020.03.340
   Google Scholar
• El-Aziz, A., Fouda, S., Al-Bonayan, A. M., Eissa, M., & Eid, D. M. (2022). Electrochemical and quantum chemical studies on the corrosion inhibition of 1037 carbon steel by different types of surfactants. RSC Advances, 12(6), 3253–3273. doi:10.1039/D1RA07983B
   PubMed Web of Science ®Google Scholar
• Faritov, A. T., Rozhdestvenskii, Y., Yamshchikova, S. A., Minnikhanova, E. R., & Tyusenkov, A. S. (2016). Improvement of the linear polarization resistance method for testing steel corrosion inhibitors. Russian Metallurgy (Metally), 2016(11), 1035–1041. doi:10.1134/S0036029516110070
   Google Scholar
• Gad, E. A. M., Azzam, E. M. S., & Halim, S. A. (2018). Theoretical approach for the performance of 4-mercapto-1-alkylpyridin-1-ium bromide as corrosion inhibitors using DFT. Egyptian Journal of Petroleum, 27(4), 695–699. doi:10.1016/j.ejpe.2017.10.005
   Google Scholar
• Gadow, H. S., & Fakeeh, M. (2022). Green inhibitor of carbon steel corrosion in 1 M hydrochloric acid: Eruca sativa seed extract (Experimental and theoretical studies. RSC Advances, 12(15), 8953–8986.) doi:10.1039/D2RA01296K
   PubMed Web of Science ®Google Scholar
• Guo, L., Luo, Y., Huang, Y., Yang, W., Zheng, X., Lin, Y., & Marzouki, R. (2022). Imidazolidiny urea as a potential corrosion inhibitor for mild steel in HCl medium: Experimental and density-functional based tight-binding methods. International Journal of Electrochemical Science, 17(7), 220748. doi:10.20964/2022.07.34
   Web of Science ®Google Scholar
• Hozien, Z. A., EL-Mahdy, A. F. M., Abo Markeb, A., Ali, L. S. A., & El-Sherief, H. A. H. (2020). Synthesis of Schiff and Mannich bases of new s -triazole derivatives and their potential applications for removal of heavy metals from aqueous solution and as antimicrobial agents. RSC Advances, 10(34), 20184–20194. doi:10.1039/D0RA02872J
   PubMed Web of Science ®Google Scholar
• Ibrahim, I. M., Yunus, S., & Hashim, M. A. (2013). Relative performance of isopropylamine, pyrrole and pyridine as corrosion inhibitors for carbon steels in saline water at mildly elevated temperatures. IJSER, 4, 1–12.
   Google Scholar
• Idris, M. N., Daud, A. R., & Othman, N. K. (2013). Electrochemical impedance spectroscopy study on corrosion inhibition of benzyltriethylammonium chloride, in. Selangor, Malaysia. 23–28. doi:10.1063/1.4858624
   Google Scholar
• Jafari, H., Akbarzade, K., & Danaee, I. (2019). Corrosion inhibition of carbon steel immersed in a 1 M HCl solution using benzothiazole derivatives. Arabian Journal of Chemistry, 12(7), 1387–1394. doi:10.1016/j.arabjc.2014.11.018
   Web of Science ®Google Scholar
• Ju, H., Ding, L., Sun, C., & Chen, J. (2015). Quantum chemical study on the corrosion inhibition of some oxadiazoles. Advances in Materials Science and Engineering, 2015, 1–5. doi:10.1155/2015/519606
   Web of Science ®Google Scholar
• Kabanda, M. M., Murulana, L. C., Ozcan, M., Karadag, F., Dehri, I., Obot, I. B., & Ebenso, E. E. (2012). Quantum chemical studies on the corrosion inhibition of mild steel by some triazoles and benzimidazole derivatives in acidic medium. International Journal of Electrochemical Science, 7(6), 5035–5056. doi:10.1016/S1452-3981(23)19602-7
   Web of Science ®Google Scholar
• Kamble, P. P., & Dubey, R. S. (2021). Effect of 1-acetyl-1H-benzotriazole on corrosion of mild steel in 1M HCl. Journal of Scientific Research, 13(3), 979–988. doi:10.3329/jsr.v13i3.52725
   Google Scholar
• Kuriakose, N., Kakkassery, J. T., Raphael, V. P., & Shanmughan, S. K. (2014). Electrochemical impedance spectroscopy and potentiodynamic polarization analysis on anticorrosive activity of thiophene-2-carbaldehyde derivative in acid medium. Indian Journal of Engineering and Materials Science, 20141–6. doi:10.1155/2014/124065
   Google Scholar
• Lai, C., Xie, B., Zou, L., Zheng, X., Ma, X., & Zhu, S. (2017). Adsorption and corrosion inhibition of mild steel in hydrochloric acid solution by S-allyl-O,O′-dialkyldithiophosphates. Results in Physics, 7, 3434–3443. doi:10.1016/j.rinp.2017.09.012
   Web of Science ®Google Scholar
• Li, D., Zhao, X., Liu, Z., Liu, H., Fan, B., Yang, B., … Zou, H. (2021). Synergetic anticorrosion mechanism of main constituents in Chinese yam peel for copper in artificial seawater. ACS Omega, 6(44), 29965–29981. doi:10.1021/acsomega.1c04500
   PubMed Web of Science ®Google Scholar
• Maithili, K., Shetty, P., Kumari, P. P., & Kagatikar, S. (2022). Mannich base as an efficient corrosion inhibitor of AA6061 in 0.5 M HCl: Electrochemical, surface morphological and theoretical investigations. Arabian Journal for Science and Engineering, 47(6), 7053–7067. doi:10.1007/s13369-021-06302-2
   Web of Science ®Google Scholar
• Manimegalai, S., & Manjula, P. (2015). Thermodynamic and adsorption studies for corrosion inhibition of mild steel in aqueous media by Sargasam swartzii (Brown algae). Journal of Materials and Environmental Science. 6, 1629–1637.
   Google Scholar
• Molchan, I. S., Thompson, G. E., Skeldon, P., Lindsay, R., Walton, J., Kouvelos, E., … Schubert, T. J. S. (2015). Microscopic study of the corrosion behaviour of mild steel in ionic liquids for CO 2 capture applications. RSC Advances, 5(44), 35181–35194. doi:10.1039/C5RA01097G
   Web of Science ®Google Scholar
• Nahlé, A., Salim, R., El Hajjaji, F., Aouad, M. R., Messali, M., Ech-Chihbi, E., … Taleb, M. (2021). Novel triazole derivatives as ecological corrosion inhibitors for mild steel in 1.0 M HCl: Experimental & theoretical approach. RSC Advances, 11(7), 4147–4162. doi:10.1039/D0RA09679B
   PubMed Web of Science ®Google Scholar
• Ouakki, M., Galai, M., Benzekri, Z., Aribou, Z., Ech-Chihbi, E., Guo, L., … Cherkaoui, M. (2021). A detailed investigation on the corrosion inhibition effect of newly synthesized pyran derivative on mild steel in 1.0 M HCl: Experimental, surface morphological (SEM-EDS, DRX& AFM) and computational analysis (DFT & MD simulation. Journal of Molecular Liquids. 344, 117777. doi:10.1016/j.molliq.2021.117777
   Web of Science ®Google Scholar
• Ouakki, M., Galai, M., Benzekri, Z., Verma, C., Ech-Chihbi, E., Kaya, S., … Cherkaoui, M. (2021). Insights into corrosion inhibition mechanism of mild steel in 1 M HCl solution by quinoxaline derivatives: Electrochemical, SEM/EDAX, UV-visible, FT-IR and theoretical approaches. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 611, 125810. doi:10.1016/j.colsurfa.2020.125810
   Web of Science ®Google Scholar
• Ouakki, M., Galai, M., Rbaa, M., Abousalem, A. S., Lakhrissi, B., Rifi, E. H., & Cherkaoui, M. (2019). Quantum chemical and experimental evaluation of the inhibitory action of two imidazole derivatives on mild steel corrosion in sulphuric acid medium. Heliyon, 5(11), e02759. doi:10.1016/j.heliyon.2019.e02759
   PubMed Web of Science ®Google Scholar
• Oyeneyin, O., Akerele, D., Ojo, N., & Oderinlo, O. (2021). Corrosion inhibitive potentials of some 2H-1-benzopyran-2-one derivatives- DFT calculations. Biointerface Research in Applied Chemistry, 11, 13968–13981. doi:10.33263/BRIAC116.1396813981
   Web of Science ®Google Scholar
• Oyeneyin, O. E., Ojo, N. D., Ipinloju, N., Agbaffa, E. B., & Emmanuel, A. V. (2022). Investigation of the corrosion inhibition potentials of some 2-(4-(substituted)arylidene)-1H-indene-1,3-dione derivatives: Density functional theory and molecular dynamics simulation. Beni-Suef University Journal of Basic and Applied Sciences, 11(1), 132. doi:10.1186/s43088-022-00313-0
   Google Scholar
• Paul, S., & Koley, I. (2016). Corrosion inhibition of carbon steel in acidic environment by papaya seed as green inhibitor. Journal of Bio- and Tribo-Corrosion, 2(2), 6. doi:10.1007/s40735-016-0035-2
   Google Scholar
• Phadke Swathi, N., Alva, V. D. P., & Samshuddin, S. (2017). A Review on 1,2,4-triazole derivatives as corrosion inhibitors. Journal of Bio- and Tribo-Corrosion, 3(4), 42. doi:10.1007/s40735-017-0102-3
   Google Scholar
• Raghavendra, N., & Ishwara Bhat, J. (2019). Inhibition of Al corrosion in 0.5 M HCl solution by Areca flower extract. JKSUES, 31(3), 202–208. doi:10.1016/j.jksues.2017.06.003
   Google Scholar
• Rasheeda, K., Alamri, A. H., Krishnaprasad, P. A., Swathi, N. P., Alva, V. D. P., & Aljohani, T. A. (2022). Efficiency of a pyrimidine derivative for the corrosion inhibition of c1018 carbon steel in aqueous acidic medium: Experimental and theoretical approach. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 642, 128631. doi:10.1016/j.colsurfa.2022.128631
   Web of Science ®Google Scholar
• Rasheeda, K., Swathi, N. P., Alva, V. D. P., Aljohani, T. A., Alomari, F. Y., & Alamri, A. H. (2022). Anticorrosive behavior of new pyrimidine derivatives on carbon steel in acidic medium: Experimental, theoretical, and surface studies. Journal of Bio- and Tribo-Corrosion, 8(4), 89. doi:10.1007/s40735-022-00688-8
   Google Scholar
• Rehioui, M., Abbout, S., Benzidia, B., Hammouch, H., Erramli, H., Daoud, N. A., … Hajjaji, N. (2021). Corrosion inhibiting effect of a green formulation based on Opuntia dillenii seed oil for iron in acid rain solution. Heliyon, 7(4), e06674. doi:10.1016/j.heliyon.2021.e06674
   PubMed Web of Science ®Google Scholar
• Rodríguez, J. A., Cruz-Borbolla, J., Arizpe-Carreón, P. A., & Gutiérrez, E. (2020). Mathematical models generated for the prediction of corrosion inhibition using different theoretical chemistry simulations. Materials, 13(24), 5656. doi:10.3390/ma13245656
   PubMed Web of Science ®Google Scholar
• Saadouni, M., Galai, M., Aoufir, Y. E., Skal, S., Boukhris, S., Hassikouz, A., … Souizi, A. (2018). Experimental, quantum chemical and Monte Carlo simulations studies on the corrosion inhibition of mild steel in 1 M HCl by two benzothiazine derivatives. Journal of Materials and Environmental Science, 9, 2493–2504.
   Google Scholar
• Sasikumar, Y., Adekunle, A. S., Olasunkanmi, L. O., Bahadur, I., Baskar, R., Kabanda, M. M., … Ebenso, E. E. (2015). Experimental, quantum chemical and Monte Carlo simulation studies on the corrosion inhibition of some alkyl imidazolium ionic liquids containing tetrafluoroborate anion on mild steel in acidic medium. Journal of Molecular Liquids, 211, 105–118. doi:10.1016/j.molliq.2015.06.052
   Web of Science ®Google Scholar
• Shahzad, K., Sliem, M. H., Shakoor, R. A., Radwan, A. B., Kahraman, R., Umer, M. A., … Abdullah, A. M. (2020). Electrochemical and thermodynamic study on the corrosion performance of API X120 steel in 3.5% NaCl solution. Scientific Reports, 10(1), 4314. doi:10.1038/s41598-020-61139-3
   PubMed Web of Science ®Google Scholar
• Sharma, P., Upadhyay, R. K., & Chaturvedi, A. (2014). Efficiency of some newly synthesized Mannich bases as corrosion inhibitor for mild steel in HNO3 solution. Asian Journal of Advance Basic Science, 3, 67–73.
   Google Scholar
• Shenoy, V. K., Venugopal, P. P., Reena Kumari, P. D., & Chakraborty, D. (2022). Anti-corrosion investigation of a new nitro veratraldehyde substituted imidazopyridine derivative Schiff base on mild steel surface in hydrochloric acid medium: Experimental, computational, surface morphological analysis. Materials Chemistry and Physics. 281, 125855. doi:10.1016/j.matchemphys.2022.125855
   Web of Science ®Google Scholar
• Singh, P., Ebenso, E. E., Olasunkanmi, L. O., Obot, I. B., & Quraishi, M. A. (2016). Electrochemical, theoretical, and surface morphological studies of corrosion inhibition effect of green naphthyridine derivatives on mild steel in hydrochloric acid. The Journal of Physical Chemistry C, 120(6), 3408–3419. doi:10.1021/acs.jpcc.5b11901
   Web of Science ®Google Scholar
• Singh, A., Ebenso, E. E., & Quraishi, M. A. (2012). Corrosion inhibition of carbon steel in HCl solution by some plant extracts. International Journal of Corrosion. 2012, 1–20. doi:10.1155/2012/897430
   Google Scholar
• Sliem, M. H., El Basiony, N. M., Zaki, E. G., Sharaf, M. A., & Abdullah, A. M. (2020). Corrosion inhibition of mild steel in sulfuric acid by a newly synthesized schiff base: An electrochemical, DFT, and Monte Carlo Simulation study. Electroanalysis, 32(12), 3145–3158. doi:10.1002/elan.202060461
   Web of Science ®Google Scholar
• Sun, H. (1998). COMPASS: An ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds. The Journal of Physical Chemistry B, 102(38), 7338–7364. doi:10.1021/jp980939v
   Web of Science ®Google Scholar
• Swathi, N. P., Samshuddin, S., Alamri, A. H., Rasheeda, K., Alva, V. D. P., & Aljohani, T. A. (2022). Experimental and theoretical investigation of a new triazole derivative for the corrosion inhibition of carbon steel in acid medium. Egyptian Journal of Petroleum. 31(2), 15–21. doi:10.1016/j.ejpe.2022.04.002
   Google Scholar
• Swathi, N. P., Samshuddin, S., Aljohani, T. A., Rasheeda, K., Alva, V. D. P., Alomari, F. Y., & Alamri, A. H. (2022). A new 1,2,4-triazole derivative as an excellent corrosion inhibitor: Electrochemical experiments with theoretical validation. Materials Chemistry and Physics. 291, 126677. doi:10.1016/j.matchemphys.2022.126677
   Web of Science ®Google Scholar
• Tüzün, B., & Bhawsar, J. (2021). Quantum chemical study of thiaozole derivatives as corrosion inhibitors based on density functional theory. Arabian Journal of Chemistry, 14(2), 102927. doi:10.1016/j.arabjc.2020.102927
   Web of Science ®Google Scholar
• Visser, P., Terryn, H., & Mol, J. M. C. (2019). Active corrosion protection of various aluminium alloys by lithium‐leaching coatings. Surface and Interface Analysis, 51(12), 1276–1287. doi:10.1002/sia.6638
   Web of Science ®Google Scholar
• Xavier Stango, S. A., & Vijayalakshmi, U. (2018). Studies on corrosion inhibitory effect and adsorption behavior of waste materials on mild steel in acidic medium. Journal of Asian Ceramic Societies, 6(1), 20–29. doi:10.1080/21870764.2018.1439608
   Web of Science ®Google Scholar
• Zhang, X., Zhang, Y., Su, Y., Wang, X., & Lv, R. (2022). Synthesis and corrosion inhibition performance of Mannich bases on mild steel in lactic acid media. ACS Omega, 7(36), 32208–32224. doi:10.1021/acsomega.2c03545
   PubMed Web of Science ®Google Scholar
• Zulfareen, N., Venugopal, T., & Kannan, K. (2018). Experimental and theoretical studies on the corrosion inhibition of brass in hydrochloric acid by n-(4-((4-benzhydryl piperazin-1-yl) methyl carbamoyl) phenyl) furan-2-carboxamide. International Journal of Corrosion, 2018, e9372804–18. doi:10.1155/2018/9372804
   Web of Science ®Google Scholar