The corrosion inhibition of amoxicillin (AMO) on mild carbon steels in 1 M HCl acid solution was studied experimentally and with computational chemistry techniques. The inhibition efficiency increases with the concentration of AMO, reaching the maximal value (84.72%) at 100 mg·L–1 and 25°C. Several quantum chemical parameters were calculated based on the optimal configuration of AMO at the theoretical level of B3LYB/6-31+G(d,p). Molecular dynamics and Monte Carlo simulation were used to configure the most robust absorption configuration on the surface of Fe(110) and clarify the mechanism of the inhitition process. The results show that AMO is an effective corrosion inhibitor.
- Marzorati S, Verotta L, Trasatti SP. Green Corrosion Inhibitors from Natural Sources and Biomass Wastes. Molecules. 2018;24(1). DOI: https://doi.org/10.3390/molecules24010048
- Ali SA, Saeed M, Rahman S. The isoxazolidines: a new class of corrosion inhibitors of mild steel in acidic medium. Corrosion Science. 2003;45(2):253-66. DOI: https://doi.org/10.1016/S0010-938X(02)00099-9
- Bouyanzer A, Hammouti B. A study of anti‐corrosive effects of Artemisia oil on steel. Pigment & resin technology. 2004. DOI: https://doi.org/10.1108/03699420410560489
- El-Etre A. Inhibition of aluminum corrosion using Opuntia extract. Corrosion science. 2003;45(11):2485-95. DOI: https://doi.org/10.1016/S0010-938X(03)00066-0
- El-Etre A. Khillah extract as inhibitor for acid corrosion of SX 316 steel. Applied Surface Science. 2006;252(24):8521-5. DOI: https://doi.org/10.1016/j.apsusc.2005.11.066
- El-Etre A, Abdallah M, El-Tantawy Z. Corrosion inhibition of some metals using lawsonia extract. Corrosion science. 2005;47(2):385-95. DOI: https://doi.org/10.1016/j.corsci.2004.06.006
- Gece G. Drugs: A review of promising novel corrosion inhibitors. Corrosion Science. 2011;53(12):3873-98. DOI: https://doi.org/10.1016/j.corsci.2011.08.006
- Golestani G, Shahidi M, Ghazanfari D. Electrochemical evaluation of antibacterial drugs as environment-friendly inhibitors for corrosion of carbon steel in HCl solution. Applied surface science. 2014;308:347-62. DOI: https://doi.org/10.1016/j.apsusc.2014.04.172
- Alfakeer M, Abdallah M, Fawzy A. Corrosion inhibition effect of expired ampicillin and flucloxacillin drugs for mild steel in aqueous acidic medium. International Journal of Electrochemical Science. 2020;15:3283-97. DOI: https://doi.org/10.20964/2020.04.09
- Shukla SK, Quraishi M, Ebenso EE. Adsorption and corrosion inhibition properties of cefadroxil on mild steel in hydrochloric acid. International Journal of Electrochemical Science. 2011;6:2912-31.
- Nazeer AA, El-Abbasy H, Fouda A. Antibacterial drugs as environmentally-friendly corrosion inhibitors for carbon steel in acid medium. Research on Chemical Intermediates. 2013;39(3):921-39.
- Islam N, Kaya S. Conceptual density functional theory and its application in the chemical domain. London: Apple Academic Press; 2018.
- Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, et al. Gaussian 09, Revision A.02. Gaussian, Inc., Wallingford CT2009.
- Makowski M, Raczyńska ED, Chmurzyński L. Ab Initio Study of Possible and Preferred Basic Site(s) in PolyfunctionalN1,N1-Dimethyl-N2-cyanoformamidine. The Journal of Physical Chemistry A. 2001;105(5):869-74. DOI: https://doi.org/10.1021/jp002458t
- Raczynska ED, Darowska M, Dabkowska I, Decouzon M, Gal JF, Maria PC, et al. Experimental and theoretical evidence of basic site preference in polyfunctional superbasic amidinazine: N(1),N(1)-dimethyl-N(2)-beta-(2-pyridylethyl)formamidine. The Journal of organic chemistry. 2004;69(12):4023-30. DOI: https://doi.org/10.1021/jo030308j
- Raczyńska E, Makowski M, Górnicka E, Darowska M. Ab Initio Studies on the Preferred Site of Protonation in Cytisine in the Gas Phase and Water. International Journal of Molecular Sciences. 2005;6(1):143-56. DOI: https://doi.org/10.3390/i6010143
- Salarvand Z, Amirnasr M, Talebian M, Raeissi K, Meghdadi S. Enhanced corrosion resistance of mild steel in 1M HCl solution by trace amount of 2-phenyl-benzothiazole derivatives: Experimental, quantum chemical calculations and molecular dynamics (MD) simulation studies. Corrosion Science. 2017;114:133-45. DOI: https://doi.org/10.1016/j.corsci.2016.11.002
- Ferreira ES, Giacomelli C, Giacomelli FC, Spinelli A. Evaluation of the inhibitor effect of l-ascorbic acid on the corrosion of mild steel. Materials Chemistry and Physics. 2004;83(1):129-34. DOI: https://doi.org/10.1016/j.matchemphys.2003.09.020
- Satapathy AK, Gunasekaran G, Sahoo SC, Amit K, Rodrigues PV. Corrosion inhibition by Justicia gendarussa plant extract in hydrochloric acid solution. Corrosion Science. 2009;51(12):2848-56. DOI: https://doi.org/10.1016/j.corsci.2009.08.016
- Larabi L, Benali O, Harek Y. Corrosion inhibition of copper in 1 M HNO3 solution by N-phenyl Oxalic Dihydrazide and Oxalic N-phenylhydrazide N-phenylthiosemicarbazide. Portugaliae Electrochimica Acta. 2006;24(3):337-46.
- Oguzie EE. Corrosion inhibitive effect and adsorption behaviour of Hibiscus sabdariffa extract on mild steel in acidic media. Portugaliae Electrochimica Acta. 2008;26(3):303-14.
- Thu TTK. Giáo trình lý thuyết thống kê. Hà Nội: NXB Đại học Kinh tế Quốc dân; 2012.
- Singh A, Singh V, Quraishi M. Aqueous extract of Kalmegh (Andrographis paniculata) leaves as green inhibitor for mild steel in hydrochloric acid solution. International Journal of Corrosion. 2010. DOI: https://doi.org/10.1155/2010/275983
- Orubite K, Oforka N. Inhibition of the corrosion of mild steel in hydrochloric acid solutions by the extracts of leaves of Nypa fruticans Wurmb. Materials Letters. 2004;58(11):1768-72. DOI: https://doi.org/10.1016/j.matlet.2003.11.030
- Vinod Kumar K, Sankara Narayanan Pillai M, Rexin Thusnavis G. Green corrosion inhibitor from seed extract of Areca catechu for mild steel in hydrochloric acid medium. Journal of materials science. 2011. DOI: https://doi.org/10.1007/s10853-011-5457-0
- Haque J, Srivastava V, Chauhan DS, Lgaz H, Quraishi MA. Microwave-induced synthesis of chitosan Schiff bases and their application as novel and green corrosion inhibitors: experimental and theoretical approach. ACS omega. 2018;3(5):5654-68. DOI: https://doi.org/10.1021/acsomega.8b00455
- Hsu C, Mansfeld F. Concerning the conversion of the constant phase element parameter Y 0 into a capacitance. Corrosion. 2001;57(9):747. DOI: https://doi.org/10.5006/1.3280607
- Saratha R, Priya S, Thilagavathy P. Investigation of Citrus aurantiifolia leaves extract as corrosion inhibitor for mild steel in 1 M HCl. Journal of chemistry. 2009;6(3):785-95. DOI: https://doi.org/10.1155/2009/107807
- Tao Z, He W, Wang S, Zhang S, Zhou G. Adsorption Properties and Inhibition of Mild Steel Corrosion in 0.5 MH 2 SO 4 Solution by Some Triazol Compound. Journal of materials engineering and performance. 2013;22(3):774-81.
- Ostovari A, Hoseinieh S, Peikari M, Shadizadeh S, Hashemi S. Corrosion inhibition of mild steel in 1 M HCl solution by henna extract: A comparative study of the inhibition by henna and its constituents (Lawsone, Gallic acid, α-d-Glucose and Tannic acid). Corrosion Science. 2009;51(9):1935-49. DOI: https://doi.org/10.1016/j.corsci.2009.05.024
- Lebrini M, Robert F, Blandinières P, Roos C. Corrosion inhibition by Isertia coccinea plant extract in hydrochloric acid solution. International Journal of Electrochemical Science. 2011;6(7):2443-60.
- Olasunkanmi LO, Obot IB, Kabanda MM, Ebenso EE. Some Quinoxalin-6-yl Derivatives as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid: Experimental and Theoretical Studies. The Journal of Physical Chemistry C. 2015;119(28):16004-19. DOI: https://doi.org/10.1021/acs.jpcc.5b03285
- Ramezanzadeh M, Bahlakeh G, Sanaei Z, Ramezanzadeh B. Studying the Urtica dioica leaves extract inhibition effect on the mild steel corrosion in 1 M HCl solution: Complementary experimental, ab initio quantum mechanics, Monte Carlo and molecular dynamics studies. Journal of Molecular Liquids. 2018;272:120-36. DOI: https://doi.org/10.1016/j.molliq.2018.09.059
- Obot IB, Umoren SA, Gasem ZM, Suleiman R, Ali BE. Theoretical prediction and electrochemical evaluation of vinylimidazole and allylimidazole as corrosion inhibitors for mild steel in 1 M HCl. Journal of Industrial and Engineering Chemistry. 2015;21:1328-39. DOI: https://doi.org/10.1016/j.jiec.2014.05.049
- Gao G, Liang C. Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass. Electrochimica Acta. 2007;52(13):4554-9. DOI: https://doi.org/10.1016/j.electacta.2006.12.058
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