1. bookVolume 66 (2022): Edition 1 (January 2022)
Détails du magazine
License
Format
Magazine
eISSN
1804-1213
Première parution
03 Apr 2012
Périodicité
4 fois par an
Langues
Anglais
access type Accès libre

Experimental studies on the corrosion inhibition of mild steel by 1-(phenylamino-1,3,4-thiadiazol-5-yl)-3-phenyl-3-oxopropan complemented with DFT Modeling

Publié en ligne: 18 Apr 2022
Volume & Edition: Volume 66 (2022) - Edition 1 (January 2022)
Pages: 7 - 15
Détails du magazine
License
Format
Magazine
eISSN
1804-1213
Première parution
03 Apr 2012
Périodicité
4 fois par an
Langues
Anglais
Abstract

1-(Phenylamino-1,3,4-thiadiazol-5-yl)-3-phenyl-3-oxopropan (PTPO) was selected as the investigated material for studying the protection performance for mild steel in 1 mol L-1 hydrochloric acid solution. The inhibitor was assessed using weight loss measurements complemented with morphological analytical techniques and density functional theory (DFT) modelling. The PTPO demonstrated significant inhibitive efficacy of 95.4% in the presence of 500 ppm at 303 K. The protection efficiency increases with the concentration increasing from 100 to 500 ppm, and no significant effect after 500 ppm. Furthermore, gravimetric findings reveal that the protection efficiency at 500 ppm PTPO increases with immersion period and increasing temperature (303-333 K), due to the effective adsorption of PTPO on the mild steel surface, and the protection efficiency value is 95.8% at 48 h of exposure and 95.4%, 95.4%, 95.7% and 95.9% at 303, 313, 323 and 333 K, respectively. The adsorption of PTPO on the mild steel surface obeyed the Langmuir adsorption isotherm model and revealing the mode of chemisorption adsorption. According to the DFT calculations, protection by PTPO is essentially performed by the heteroatoms in the inhibitor molecules which represented the adsorption sites, and the aromatic rings increase the electrostatic interaction between the PTPO molecules and the mild steel surface. The surface morphological studies, weight loss measurements, and DFT computational studies are in good agreement and that the selected corrosion inhibitor is adsorbed on the mild steel surface to form a protected layer on the surface of mild steel against the hydrochloric acid solution.

1. M. Athar, H. Ali, M.A. Quraishi, Corrosion inhibition of carbon steel in hydrochloric acid by organic compounds containing heteroatoms, British Corros. J. 2002, 37, 155–158, https://doi.org/10.1179/000705902225002376.10.1179/000705902225002376 Search in Google Scholar

2. L. Guo, I.B. Obot, X. Zheng, X. Shen, Y. Qiang, S. Kaya, C. Kaya, Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms, Appl. Surf. Sci. 2017, 406, 301–306, https://doi.org/10.1016/j.apsusc, 2017, 2, 134. Search in Google Scholar

3. S.K. Saha, A. Hens, N.C. Murmu, P. Banerjee, A comparative density functional theory and molecular dynamics simulation studies of the corrosion inhibitory action of two novel N-heterocyclic organic compounds along with a few others over steel surface, J. Mol. Liq. 2016, 215, 486–495, https://doi.org/10.1016/j.molliq.2016.01.024.10.1016/j.molliq.2016.01.024 Search in Google Scholar

4. C. Verma, D.K. Verma, E.E. Ebenso, M.A. Quraishi, Sulfur and phosphorus heteroatom-containing compounds as corrosion inhibitors: an overview, Heteroatom Chem. 29 (4) (2018) e21437, https://doi.org/10.1002/hc.21437.10.1002/hc.21437 Search in Google Scholar

5. O. Fergachi, F. Benhiba, M. Rbaa, M. Ouakki, M. Galai, R. Touir, M.E. Touhami, Corrosion inhibition of ordinary steel in 5.0 M HCl medium by benzimidazole derivatives: electrochemical, UV–visible spectrometry, and DFT calculations, J.Bio. Tribo-Corros. 2019, 5, 21, https://doi.org/10.1007/s40735-018-0215-3.10.1007/s40735-018-0215-3 Search in Google Scholar

6. R. Prabhu, B. Roopashree. T. Jeevananda, S. Rao, K. R. Reddy, A. V. Raghu, Synthesis and corrosion resistance properties of novel conjugated polymer-Cu2Cl4L3 composites, Materials Science for Energy Technologies. 2021, 4, 92-99, https://doi.org/10.1016/j.mset.2021.01.001.10.1016/j.mset.2021.01.001 Search in Google Scholar

7. H. Kumar, T. Dhanda, Application of 1,2,3-Benzotriazole as corrosion inhibitor for mild steel in sulphuric acid medium at different temperature, Asian J. Chem. 2020, 32, 153–160, https://doi.org/10.14233/ajchem.2020.22379.10.14233/ajchem.2020.22379 Search in Google Scholar

8. D. Gopi, E.-S. Sherif, V. Manivannan, D. Rajeswari, M. Surendiran, L. Kavitha, Corrosion and corrosion inhibition of mild steel in groundwater at different temperatures by newly synthesized benzotriazole and phosphono derivatives, Indust. Engg. Chem. Res. 2014, 53,4286–4294, https://doi.org/10.1021/ie4039357.10.1021/ie4039357 Search in Google Scholar

9. I. Chung, R. Malathy, R. Priyadharshinl, V. Hemapriya, S. Kim, M. Prabakaran, Inhibition of mild steel corrosion using Magnolia kobus extract in sulphuric acid medium, Materials Today Communications 2020, 25, 101687, https://doi.org/10.1016/j.mtcomm.2020.10168710.1016/j.mtcomm.2020.101687 Search in Google Scholar

10. W. Chai, D.Sun, K. Cheah, G. Li, H. Meng, Co-Electrolysis-Assisted Decomposition of Hydroxylammonium Nitrate– Fuel Mixtures Using Stainless Steel–Platinum Electrodes, ACS Omega 2020, 5, 19525–19532, https://doi.org/10.1021/acsomega.0c01804.10.1021/acsomega.0c01804742474032803046 Search in Google Scholar

11. A. Berrissoul, A. Ouarhach, F. Benhiba, A. Romane, A. Zarrouk, A. Guenbour, B. Dikici, A. Dafali, Evaluation of Lavandula mairei extract as green inhibitor for mild steel corrosion in 1 M HCl solution. Experimental and theoretical approach, Journal of Molecular Liquids 2020, 313, 113493, https://doi.org/10.1016/j.molliq.2020.113493.10.1016/j.molliq.2020.113493 Search in Google Scholar

12. F. A. Ansari,M. A. Quraishi, Oleo-chemicals triazoles as effective corrosion inhibitors for mild steel in acetic acid. Petromin. Pipeliner 2010, 36−42. Search in Google Scholar

13. H. Lgaz, R. Salghi, K. Subrahmanya Bhat, A. Chaouiki, Shubhalaxmi, S. Jodeh, Jodeh Correlated experimental and theoretical study on inhibition behavior of novel quinoline derivatives for the corrosion of mild steel in hydrochloric acid solution, J. Mol. Liq. 2017, 244, 154–168, https://doi.org/10.1016/j.molliq.2017.08.121.10.1016/j.molliq.2017.08.121 Search in Google Scholar

14. M. Lagrenée, B. Mernari, M. Bouanis, M. Traisnel, F. Bentiss, Study of the mechanism and inhibiting efficiency of 3,5-bis(4-methylthiophenyl)-4H-1,2,4-triazole on mild steel corrosion in acidic media, Corros. Sci. 2002, 44 (3), 573–588. Search in Google Scholar

15. E. Ebenso, N. Eddy, A. Odiongenyi, Corrosion inhibition and adsorption properties of methocarbamol on mild steel in acidic medium. Port. Electrochim. Acta 2009, 27, 13−22.10.4152/pea.200901013 Search in Google Scholar

16. A. Afidah, E. Rahim, J. Rocca, M. Steinmetz, R. Kassim, S. Ibrahim, Mangrove tannins and their flavanoid monomers as alternative steel corrosion inhibitors in acidic medium. Corros. Sci. 2007, 49, 402−417. Search in Google Scholar

17. L. Herrag, A. Chetouani, S. Elkadiri, B. Hammouti, A. Aouniti, Pyrazole derivatives as corrosion inhibitors for steel in hydrochloric Acid. Port. Electrochim. Acta 2008, 26, 211−22010.4152/pea.200802211 Search in Google Scholar

18. F. Chaouket, B. Hammouti, S. Kertit, K. Kacemi, Corrosion inhibition of three Fe-B based amorphous alloys in sulphuric acid medium by mercaptophenytetrazole. Bull. Electrochem 2007, 17, 311− 320. Search in Google Scholar

19. G. K. Gomma, M. H. Wahdan, Effect of copper cation on electrochemical behaviour of steel in presence of imidazole in acid medium. Mater. Chem. Phys. 1997, 47, 176−183. Search in Google Scholar

20. M. Lagrenee, B. Mernari, N. Chaibi, M. Traisnel, H. Vezin, F. Bentiss, Investigation of the inhibitive effect of substituted oxadiazoles on the corrosion of mild steel in HCl medium. Corros. Sci. 2001, 43, 951−962. Search in Google Scholar

21. A. Abu-Hashem, Synthesis and antimicrobial activity of new 1,2,4-triazole, 1,3,4-oxadiazole, 1,3,4-thiadiazole, thiopyrane, thiazolidinone, and azepine derivatives. J Hetero-cyclic Chem. 2021,58, 74–92. https://doi.org/10.1002/jhet.414992ABU-HASHEM Search in Google Scholar

22. ASTM G1-03(2011), Standard Practice for Preparing, Cleaning, and Evaluating Corrosion Test Specimens, ASTM International, West Conshohocken, PA, 2011, www.astm.org. Search in Google Scholar

23. A. Alamiery, W. Isahak, M. Takriff, Inhibition of Mild Steel Corrosion by 4-benzyl-1-(4-oxo-4-phenylbutanoyl)thiosemicarbazide: Gravimetrical, Adsorption and Theoretical Studies. Lubricants 2021, 9, 93. https://doi.org/10.3390/lubricants909009310.3390/lubricants9090093 Search in Google Scholar

24. A. Alamiery, Study of Corrosion Behavior of N‘-(2-(2-oxomethylpyrrol- 1-yl)ethyl)piperidine for Mild Steel in the Acid Environment. Biointerface Research in Applied Chemistry 2022, 12, 3638 - 364610.33263/BRIAC123.36383646 Search in Google Scholar

25. A. Alamiery, Corrosion inhibition effect of 2-N-phenylamino-5-(3-phenyl-3-oxo-1-propyl)-1,3,4-oxadiazole on mild steel in 1 M hydrochloric acid medium: Insight from gravimetric and DFT investigations. Materials Science for Energy Technologies 2021, 4, 398-40610.1016/j.mset.2021.09.002 Search in Google Scholar

26. A. Alamiery, A. Kadhum, A. Mohamad, M. Takriff, The synergistic role of azomethine group and triazole ring at improving the anti-corrosive performance of 2-amino-4-phenylthiazole, South African Journal of Chemical Engineering 2021, 38, 41-53.10.1016/j.sajce.2021.07.003 Search in Google Scholar

27. A. Alamiery, Investigations on Corrosion Inhibitory Effect of Newly Quinoline Derivative on Mild Steel in HCl Solution Complemented with Antibacterial Studies. Biointerface Research in Applied Chemistry 2022, 2, 1561–1568.10.33263/BRIAC122.15611568 Search in Google Scholar

28. M. M. Hanoon, A. M. Resen, A. A. Al-Amiery, A. A. H. Kadhum, M. S. Takriff, Theoretical and Experimental Studies on the Corrosion Inhibition Potentials of 2-((6- Methyl-2-Ketoquinolin-3-yl)Methylene) Hydrazinecarbothioamide for Mild Steel in 1 M HCl. Prog. Color Colorants Coat. 2022, 15, 11-23. Search in Google Scholar

29. S. Al-Baghdadi, A. Al-Amiery, T. Gaaz, A. Kadhum, Terephthalohydrazide and isophthalo-hydrazide as new corrosion inhibitors for mild steel in hydrochloric acid: Experimental and theoretical approaches, Koroze a Ochrana Materialu 2021, 65(1), 12–22.10.2478/kom-2021-0002 Search in Google Scholar

30. Eltmimi, A.J.M. Alamiery, A. Allami, A.J. Yusop, R.M. Kadhum, A.H. and Allami, T. Inhibitive effects of a novel efficient Schiff base on mild steel in hydrochloric acid environment. Int. J. Corros. Scale Inhib. 2021, 10 (2), 634–648. doi: 10.17675/2305-6894-2021-10-2-1010.17675/2305-6894-2021-10-2-10 Search in Google Scholar

31. A. Alamiery, W. Isahak, H. Aljibori, H. Al-Asadi, A. Kadhum, Effect of the structure, immersion time and temperature on the corrosion inhibition of 4-pyrrol-1-yl-N-(2,5-dimethyl-pyrrol-1-yl)benzoylamine in 1.0 M HCl solution, Int. J. Corros. Scale Inhib. 2021, 10 (2), 700–713. doi: 10.17675/2305-6894-2021-10-2-1410.17675/2305-6894-2021-10-2-14 Search in Google Scholar

32. A. Alamiery, E. Mahmoudi T. Allami, Corrosion inhibition of low-carbon steel in hydrochloric acid environment using a Schiff base derived from pyrrole: gravimetric and computational studies. Int. J. Corros. Scale Inhib. 2021, 10 (2), 749–765. doi: 10.17675/2305-6894-2021-10-2-1710.17675/2305-6894-2021-10-2-17 Search in Google Scholar

33. M. Athar, H. Ali, M.A. Quraishi, Corrosion inhibition of carbon steel in hydrochloric acid by organic compounds containing heteroatoms, British Corros. J. 2002, 37 (2), 155–158, https://doi.org/10.1179/000705902225002376.10.1179/000705902225002376 Search in Google Scholar

34. L. Guo, I.B. Obot, X. Zheng, X. Shen, Y. Qiang, S. Kaya, C. Kaya, Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms, Appl. Surf. Sci. 2017, 406, 301–306. https://doi.org/10.1016/j.apsusc Search in Google Scholar

35. M.J. Frisch et al. Gaussian 03, Revision B.01, Gaussian Inc., Pittsburgh, PA, 2003. Search in Google Scholar

36. T. Koopmans, Ordering of wave functions and eigen-energies to the individual electrons of an atom, Physica 1933, 1, 104–113.10.1016/S0031-8914(34)90011-2 Search in Google Scholar

37. A. Al-Amiery, T. Salman, K. Alazawi, L. Shaker, A. Kadhum, M. Takriff, Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques, Int. J. Low-Carbon Technol. 2020, 15, 202–209. https://doi.org/10.1093/ijlct/ctz07410.1093/ijlct/ctz074 Search in Google Scholar

38. A. Al-Amiery, L. Shaker, A. Kadhum, M. Takriff, Synthesis, characterization and gravimetric studies of novel triazole-based compound, Int. J. Low-Carbon Technol. 2020, 15, 164–170. https://doi.org/10.1093/ijlct/ctz067.10.1093/ijlct/ctz067 Search in Google Scholar

39. J. Yamin, E. Sheet E, A. Al-Amiery, Statistical analysis and optimization of the corrosion inhibition efficiency of a locally made corrosion inhibitor under different operating variables using RSM, Int. J. Corros. Scale Inhibition 2020, 9, 502–518. https://doi.org/10.17675/2305-6894-2020-9-2-6.10.17675/2305-6894-2020-9-2-6 Search in Google Scholar

40. D. Zinad, M. Hanoon, R. Salim, S. Ibrahim, A. Al-Amiery, M. Takriff, A. Kadhum.A new synthesized coumarin-derived schiff base as a corrosion inhibitor of mild steel surface in HCl medium: Gravimetric and dft studies. International Journal of Corrosion and Scale Inhibition 2020, 9, 228–243. https://doi.org/10.17675/2305-6894-2020-9-1-1410.17675/2305-6894-2020-9-1-14 Search in Google Scholar

41. D. Zinad, Q. Jawad, M. Hussain, A. Mahal, L. Mohamed, A. Al-Amiery, Adsorption, temperature and corrosion inhibition studies of a coumarinderivatives corrosion inhibitor for mild steel in acidic medium: gravimetricand theoretical investigations, Int. J. Corros. Scale Inhibition 2020, 9, 134–151. https://doi.org/10.17675/2305-6894-2020-9-1-8.10.17675/2305-6894-2020-9-1-8 Search in Google Scholar

42. A. Alamiery, E. Mahmoudi, T. Allami, Corrosion inhibition of low-carbon steel in hydrochloric acid environment using a Schiff base derived from pyrrole: gravimetric and computational studies, Int. J. Corros. Scale Inhibition 2021, 10, 749–765. https://doi.org/10.17675/2305-6894-2021-10-2-17.10.17675/2305-6894-2021-10-2-17 Search in Google Scholar

43. S. B. Al-Baghdadi, A. A. Al-Amiery, A. Kadhum, M. Takriff, Computational calculations, gravimetrical, and surface morphological investigations of corrosion inhibition effect of triazole derivative on mild steel in HCl, J. Comput. Theoretical Nanosci. 2020, 17, 4797–4804. https://doi.org/10.1166/jctn.2020.9328.A.A. Search in Google Scholar

44. N. K. Allam, Thermodynamic and quantum chemistry characterization of the adsorption of triazole derivatives during Muntz corrosion in acidic and neutral solutions. Appl. Surf. Sci. 2007, 253, 4570−4577. Search in Google Scholar

45. Q. Jawad, A. Hameed, M. Abood, A. Al-Amiery, L. Shaker, A. Kadhum, S. Takriff, Synthesis and comparative study of novel triazole derived as corrosion inhibitor of mild steel in HCl medium complemented with dft calculations, Int. J. Corros. Scale Inhibition 2020, 9, 688–705. https://doi.org/10.17675/2305-6894-2020-9-2-19.10.17675/2305-6894-2020-9-2-19 Search in Google Scholar

46. A.A. Al-Amiery, L.M. Shaker, A.A.H. Kadhum, M.S. Takriff, Corrosion inhibition of mild steel in strong acid environment by 4-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino) benzenesulfonamide, Tribol. Ind. 2020, 42, 89–101. Search in Google Scholar

47. S. Junaedi, A. Al-Amiery, A. Kadihum, A. Kadhum, A. Mohamad, Inhibitioneffects of a synthesized novel 4-amino-antipyrine derivative on the corrosion of mild steel in hydrochloric acid solution together with quantum chemicalstudies, Int. J. Mol. Sci. 2013, 14, 11915–11928. https://doi.org/10.3390/ijms140611915.10.3390/ijms140611915370976323736696 Search in Google Scholar

48. A. Alamiery, W.N.R.W. Isahak, H.S.S. Aljibori, H. A. Al-Asadi, A. A. H. Kadhum, Effect of the structure, immersion time and temperature on the corrosion inhibition of 4-pyrrol-1-yl-n-(2,5-dimethyl-pyrrol-1-yl)benzoylamine in 1.0 m hcl solution, International Journal of Corrosion and Scale Inhibition 2021, 10, 700-713,10.17675/2305-6894-2021-10-2-14 Search in Google Scholar

49. S. Al-Baghdadi, F. Hashim, A. Salam, T. Abed, T. Gaaz, A. Al-Amiery, A.H.Kadhum, K. Reda, W. Ahmed, Synthesis and corrosion inhibition application ofNATN on mild steel surface in acidic media complemented with DFT studies, Results Phys. 2018, 8, 1178–1184. https://doi.org/10.1016/j.rinp.2018.02.007.10.1016/j.rinp.2018.02.007 Search in Google Scholar

50. A. Alamiery, Anticorrosion effect of thiosemicarbazide derivative on mild steel in 1 mol L-1 hydrochloric acid and 0.5 M sulfuric acid: Gravimetrical and theoretical studies, Materials Science for Energy Technologies 2021, 4, 263-273. https://doi.org/10.1016/j.mset.2021.07.004.10.1016/j.mset.2021.07.004 Search in Google Scholar

51. G. Gece and S. Bilgiç, Quantum chemical study of some cyclic nitrogen compounds as corrosion inhibitors of steel in NaCl media Corrosion Science 2009, 51 (8), 1876–1878.10.1016/j.corsci.2009.04.003 Search in Google Scholar

52. M. Bouklah, H. Harek, R. Touzani, B. Hammouti, and Y. Harek, DFT and quantum chemical investigation of molecular properties of substituted pyrrolidinones, Arabian Journal of Chemistry 2012, 5, 163–166, 2012.10.1016/j.arabjc.2010.08.008 Search in Google Scholar

53. V. S. Sastri and J. R. Perumareddi, Molecular orbital theoretical studies of some organic corrosion inhibitors, Corrosion 1997, 53, 617–622.10.5006/1.3290294 Search in Google Scholar

54. I. Lukovits, E. Kálmán, and F. Zucchi, Corrosion inhibitors–correlation between electronic structure and efficiency, Corrosion 2001, 57, 3–8.10.5006/1.3290328 Search in Google Scholar

Articles recommandés par Trend MD

Planifiez votre conférence à distance avec Sciendo