Abstract
To reduce the use of synthetic compounds as wear-corrosion inhibitors, and substitute them with new ecological compounds, we are interested in evaluating the effect of the essential oils against the tribocorrosion. The present paper describes the effect of adding Thymus zygis subsp. gracilis (TZ) essential oil (3 g·L−1) on AISI 304L tribocorrosion behavior in 0.5 M H2SO4. As a result, the addition of this essential oil decreases the tribocorrosion rate [E (%) = 84.38], the value of friction coefficient, and the energy dissipated during sliding wear, in comparison to those recorded for dry environment and 0.5 M H2SO4. In addition, the essential oil improves the surface morphology of metal as shown by the scanning electron microscopy and energy dispersive X-ray and the three-dimensional optical profiler analysis. In addition, the modeling approaches of experimental results, involving the density functional theory, the electrostatic potential, and the Monte Carlo methods, show that thymol (42.5% of TZ oil) is the best corrosion and tribocorrosion inhibitor that adhered to the stainless steel surface and offers a greater coverage area to block the metal wear-corrosion. According to the obtained results, the TZ essential oil can be used in the food industry to prevent the wear of materials.
Funding source: EU-FP Grant Oil & Sugar
Award Identifier / Grant number: 295202
Acknowledgments
The authors extend their appreciation to the Moroccan Association of theoretical chemists (AMCT) for access to the computational facility.
Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: This work was partially supported by EU-FP Grant Oil & Sugar (295202).
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
ASTM International Designation, G. (1994). Guide for determining synergism between wear and corrosion. West Conshohocken, PA, USA: ASTM, pp. 119–04.Search in Google Scholar
Benallou, A., Lakbaibi, Z., Garmes, H., and EL Abdallaoui, H.E.A. (2019). The role of the polarity on the mechanism and selectivity in the [3+2] cycloaddition reaction between CF3-ynone ylide and azide group: a quantum chemical investigation. J. Fluor. Chem. 219: 79–91, https://doi.org/10.1016/j.jfluchem.2018.12.008.Search in Google Scholar
Benea, L., Wenger, F., Ponthiaux, P., and Celis, J.P. (2009). Tribocorrosion behaviour of Ni–SiC nanostructured composite coatings obtained by electrode position. Wear 266: 398–405, https://doi.org/10.1016/j.wear.2008.04.018.Search in Google Scholar
Benea, L., Mardare-Danaila, E., Mardare, M., and Celis, J.P. (2014). Preparation of titanium oxide and hydroxyapatite on Ti–6Al–4V alloy surface and electrochemical behaviour in bio-simulated fluid solution. Corrosion Sci. 80: 331–338, https://doi.org/10.1016/j.corsci.2013.11.059.Search in Google Scholar
Berradja, A., Déforge, D., Nogueira, R.P., Ponthiaux, P., Wenger, F., and Celis, J.P. (2006). An electrochemical noise study of tribocorrosion processes of AISI 304 L in Cl- and media. J. Phys. D Appl. Phys. 39: 3184–3192, https://doi.org/10.1088/0022-3727/39/15/s08.Search in Google Scholar
Boumezzourh, A., Ouknin, M., Bouyanzer, A., Costa, J., and Majidi, L. (2019). Ammodaucus Leucotrichus Cosson & Durieu fruits essential oil as corrosion inhibitor of tinplate in 0.5 M oxalic acid medium and its thermodynamic properties. Moroc. J. Chem. 7: 7–1.Search in Google Scholar
Boumezzourh, A., Ouknin, M., Chibane, E., Costa, J., Bouyanzer, A., Hammouti, B., and Majidi, L. (2020). Inhibition of tinplate corrosion in 0.5M H2C2O4 medium by Mentha pulegium essential oil. Int. J. Corros. Scale Inhib. 9: 152–170.10.17675/2305-6894-2020-9-1-9Search in Google Scholar
Bratu, F., Benea, L., and Celis, J.P. (2007). Tribocorrosion behaviour of Ni–SiC composite coatings under lubricated conditions. Surf. Coating. Technol. 201: 6940–6946, https://doi.org/10.1016/j.surfcoat.2006.12.027.Search in Google Scholar
Chen, J., Wang, J., Yan, F., Zhang, Q., and Li, Q. (2015). Effect of applied potential on the tribocorrosion behaviors of Monel K500 alloy in artificial seawater. Tribol. Int. l81: 1–8, https://doi.org/10.1016/j.triboint.2014.07.014.Search in Google Scholar
Dandlen, A.S., Lima, A.S., Mendes, M.D., Miguel, M.G., Faleiro, M.L., Sousa, M.J., Pedro, L.G., Barroso, J.G., and Figueiredo, A.C. (2010). Antioxidant activity of six Portuguese thyme species essential oils. Flavour Fragrance J. 25: 150–155, https://doi.org/10.1002/ffj.1972.Search in Google Scholar
Ding, H., Yang, X., Xu, L., Li, M., Li, S., Zhang, S., and Xia, J. (2020). Analysis and comparison of tribological performance of fatty acid-based lubricant additives with phosphorus and sulfur. J Bioresour Bioprod 5: 134–142, https://doi.org/10.1016/j.jobab.2020.04.007.Search in Google Scholar
Dob, T., Dahmane, D., Benabdelkader, T., and Chelghoum, C. (2006). Studies on the essential oil composition and antimicrobial activity of Thymus algeriensis Boiss. Int. J. Aromather. 16: 95–100, https://doi.org/10.1016/j.ijat.2006.04.003.Search in Google Scholar
Domingo, L.R., Pérez, P., and Sáez, J.A. (2013). Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions. RSC Adv. 3: 1486–1494, doi:https://doi.org/10.1039/c2ra22886f.Search in Google Scholar
Emregul, K.C. and Atakol, O. (2004). Corrosion inhibition of iron in 1M HCl solution with Schiff base compounds and derivatives. Mater. Chem. Phys. 83: 373–379, https://doi.org/10.1016/j.matchemphys.2003.11.008.Search in Google Scholar
European Pharmacopoeia. (1997). 3rd ed. Council of Europe, Strasbourg.Search in Google Scholar
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., et al.. (2009). Gaussian 09, Vol. 32. Gaussian, Inc., Wallingford, CT, pp. 5648–5652.Search in Google Scholar
Gece, G. (2008). The use of quantum chemical methods in corrosion inhibitor studies. Corrosion Sci. 50: 2981–2992, https://doi.org/10.1016/j.corsci.2008.08.043.Search in Google Scholar
Geerlings, P., De Pro, F., and Langenaeker, W. (2003). Conceptual density functional theory. Chem. Rev. 103: 1793–1874, https://doi.org/10.1021/cr990029p.Search in Google Scholar
Goulart, C.M., Esteves-Souza, A., Martinez-Huitle, C.A., Rodrigues, C.J.F., Maciel, M.A.M., and Echevarria, A. (2013). Experimental and theoretical evaluation of semicarbazones and thiosemicarbazones as organic corrosion inhibitors. Corrosion Sci. 67: 281–291, https://doi.org/10.1016/j.corsci.2012.10.029.Search in Google Scholar
Hariharan, P.C. and Pople, J.A. (1973). The influence of polarization functions on molecular orbital hydrogenation energies. Theor. Chim. Acta 28: 213–222, https://doi.org/10.1007/bf00533485.Search in Google Scholar
Hehre, W.J., Ditchfield, R., and Pople, J.A. (1972). Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules. J. Chem. Phys. 56: 2257–2261, https://doi.org/10.1063/1.1677527.Search in Google Scholar
Hsissou, R., Benzidia, B., Hajjaji, N., and Elharfi, A. (2019). Elaboration, electrochemical investigation and morphological study of the coating behavior of a new polymeric polyepoxide architecture: crosslinked and hybrid decaglycidyl of phosphorus penta methylene dianiline on E24 carbon steel in 3.5% NaCl. Port. Electrochim. Acta 37: 179–191.10.4152/pea.201903179Search in Google Scholar
Hsissou, R., Benhiba, F., Dagdag, O., El Bouchti, M., Nouneh, K., Assouag, M., Briche, S., Zarrouk, A., and Elharfi, A. (2020a). Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: outlooks from experimental and computational investigations. J. Colloid Interface Sci. 574: 43–60, https://doi.org/10.1016/j.jcis.2020.04.022.Search in Google Scholar
Hsissou, R., Benhiba, F., Abbout, S., Dagdag, O., Benkhaya, S., Berisha, A., Erramli, H., and Elharfi, A. (2020b). Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations. Inorg. Chem. Commun. 115: 107858, https://doi.org/10.1016/j.inoche.2020.107858.Search in Google Scholar
Hsissou, R., Benhiba, F., Echihi, S., Benkhaya, S., Hilali, M., Berisha, A., Briche, S., Zarrouk, A., Nouneh, K., and Elharfi, A. (2020c). New epoxy composite polymers as a potential anticorrosive coatings for carbon steel in 3.5% NaCl solution: experimental and computational approaches. Chem. Data Collect. 31: 100619.10.1016/j.cdc.2020.100619Search in Google Scholar
Hsissou, R., Abbout, S., Seghiri, R., Rehioui, M., Berisha, A., Erramli, H., Assouag, M., and Elharfi, A. (2020d). Evaluation of corrosion inhibition performance of phosphorus polymer for carbon steel in [1M] HCl: computational studies (DFT, MC and MD simulations). J. Mater. Res. Technol. 9: 2691–2703, https://doi.org/10.1016/j.jmrt.2020.01.002.Search in Google Scholar
Kokalj, A. (2012). On the HSAB based estimate of charge transfer between adsorbates and metal surfaces. Chem. Phys. 393: 1–12, https://doi.org/10.1016/j.chemphys.2011.10.021.Search in Google Scholar
Lavanya, M., Murthy, V.R., and Rao, P. (2019). Performance evaluation of a potent green inhibitor on 6061 aluminum alloy under liquid/solid jet impingement. J. Bio- Tribo-Corrosion 5: 93, https://doi.org/10.1007/s40735-019-0288-7.Search in Google Scholar
Lukovits, I., Kálmán, E., and Zucchi, F. (2001). Corrosion inhibitors - correlation between electronic structure and efficiency. Corrosion Sci. 57: 3–8, https://doi.org/10.5006/1.3290328.Search in Google Scholar
Martinez, S. (2003). Inhibitory mechanism of mimosa tannin using molecular modeling and substitutional adsorption isotherms. Mater. Chem. Phys. 77: 97–102, https://doi.org/10.1016/s0254-0584(01)00569-7.Search in Google Scholar
Mohrbacher, H., Blanpain, B., Celis, J.P., and Roos, J.R. (1995). The influence of humidity on the fretting behavior of PVD TiN coatings. Wear 180: 43–52, https://doi.org/10.1016/0043-1648(94)06538-1.Search in Google Scholar
Obot, I., Macdonald, D., and Gasem, Z. (2015). Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: an overview. Corrosion Sci. 99: 1–30, https://doi.org/10.1016/j.corsci.2015.01.037.Search in Google Scholar
Olasunkanmi, L.O., Kabanda, M.M., and Ebenso, E.E. (2016). Quinoxaline derivatives as corrosion inhibitors for mild steel in hydrochloric acid medium: electrochemical and quantum chemical studies. Phys. E Low-dimens. Syst. Nanostruct. 76: 109–126, https://doi.org/10.1016/j.physe.2015.10.005.Search in Google Scholar
Ouknin, M., Romane, A., Costa, J., Ponthiaux, P., and Majidi, L. (2018). Anticorrosion properties of Thymus munbyanus Boiss & eut. Moroc. J. Chem. 6: 6–3.Search in Google Scholar
Ouknin, M., Yang, Y., Paolini, J., Costa, J., Ponthiaux, P., and Majidi, L. (2019a). The effect of Corsican poplar leaf buds (Populus nigra var. italica) essential oil on the tribocorrosion behavior of 304L stainless steel in the sulfuric medium. J. Bio- Tribo-Corrosion 5: 83, https://doi.org/10.1007/s40735-019-0275-z.Search in Google Scholar
Ouknin, M., Costa, J., and Majidi, L. (2020a). Tribocorrosion and electrochemical behavior of AISI 304L stainless steel in acid medium and Thymus willdenowii Boiss & Reut essential oil effect. Chem. Data Collect. 20: 100389, https://doi.org/10.1016/j.cdc.2020.100389.Search in Google Scholar
Ouknin, M., Romane, A., Ponthiaux, J.P., Costa, J., and Majidi, L. (2020b). Evaluation of corrosion inhibition and adsorption behavior of Thymus zygis subsp. gracilis volatile compounds on mild steel surface in 1M HCl. Corrosion Rev. 38: 137–149, https://doi.org/10.1515/corrrev-2019-0055.Search in Google Scholar
Parr, R.G. and Pearson, R.G. (1983). Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc. 105: 7512–7516, https://doi.org/10.1021/ja00364a005.Search in Google Scholar
Pearson, R.G. (1988). Absolute electronegativity and hardness: application to inorganic chemistry. Inorg. Chem. 27: 734–740, https://doi.org/10.1021/ic00277a030.Search in Google Scholar
Ponthiaux, P., Wenger, F., and Celis, J.P. (2012). Tribocorrosion: material behaviour under combined conditions of corrosion and mechanical loading. In: Shih, Dr. (Ed.). Corrosion resistance. In Tech, pp. 81–106.10.5772/35634Search in Google Scholar
Saada, F.B., Antar, Z., Elleuch, K., Ponthiaux, P., and Gey, N. (2018). The effect of nanocrystallized surface on the tribocorrosion behavior of 304L stainless steel. Wear 394: 71–79, https://doi.org/10.1016/j.wear.2017.10.007.Search in Google Scholar
Sastri, V.S. and Perumareddi, J.R. (1997). Molecular orbital theoretical studies of some organic corrosion inhibitors. Corrosion 53: 617–622, https://doi.org/10.5006/1.3290294.Search in Google Scholar
Singh, A., Ansari, K.R., Haque, J., Dohare, P., Lgaz, H., Salghi, R., and Quraishi, M.A. (2018). Effect of electron donating functional groups on corrosion inhibition of mild steel in hydrochloric acid: experimental and quantum chemical study. J. Taiwan Inst. Chem. Eng. 82: 233–251, https://doi.org/10.1016/j.jtice.2017.09.021.Search in Google Scholar
Sun, H. (1998). Compass: an ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds. J. Phys. Chem. B 102: 7338–7364, https://doi.org/10.1021/jp980939v.Search in Google Scholar
Sun, Y. and Bailey, R. (2014). Improvement in tribocorrosion behavior of 304 stainless steel by surface mechanical attrition treatment. Surf. Coating. Technol. 253: 284–291, https://doi.org/10.1016/j.surfcoat.2014.05.057.Search in Google Scholar
Tang, Y., Zhang, F., Hu, S., Cao, Z., Wu, Z., and Jing, W. (2013). Novel benzimidazole derivatives as corrosion inhibitors of mild steel in the acidic media. Part I: gravimetric, electrochemical, SEM and XPS studies. Corrosion Sci. 74: 271–282, https://doi.org/10.1016/j.corsci.2013.04.053.Search in Google Scholar
Vanasundari, K., Balachandran, V., Kavimani, M., and Narayana, B. (2017). Spectroscopic investigation, vibrational assignments, Fukui functions, HOMO-LUMO, MEP and molecular docking evaluation of 4–[(3, 4 dichlorophenyl) amino] 2–methylidene 4 – oxo butanoic acid by DFT method. J. Mol. Struct. 1147: 136–147, https://doi.org/10.1016/j.molstruc.2017.06.096.Search in Google Scholar
Verma, C., Olasunkanmi, L.O., Obot, I., Ebenso, E.E., and Quraishi, M. (2016). 2,4-Diamino-5-(phenylthio)-5 H-chromeno [2,3-b] pyridine-3-carbonitriles as green and effective corrosion inhibitors: gravimetric, electrochemical, surface morphology and theoretical studies. RSC Adv. 6: 53933–53948, https://doi.org/10.1039/c6ra04900a.Search in Google Scholar
Verma, C., Lgaz, H., Verma, D.K., Ebenso, E.E., Bahadur, I., and Quraishi, M.A. (2018). Molecular dynamics and Monte Carlo simulations as powerful tools for study of interfacial adsorption behavior of corrosion inhibitors in aqueous phase: a review. J. Mol. Liq. 260: 99–120, https://doi.org/10.1016/j.molliq.2018.03.045.Search in Google Scholar
Vincent, L. (1994). Material and fretting, ESIS 18. Mechanical Engineering Publication, London, pp. 323–337.Search in Google Scholar
Yang, F., Su, B., Zhang, A., Meng, J., Han, J., and Wu, Y. (2018). Tribological properties and wear mechanisms of Mo2FeB2 based cermets at high temperatures. Tribol. Int. 120: 391–397, https://doi.org/10.1016/j.triboint.2017.12.038.Search in Google Scholar
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