Bis(dimethylpyrazolyl)-aniline- s -triazine derivatives as efficient corrosion inhibitors for C-steel and computational studies.

Autor: Hammud HH; Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, 31982, Saudi Arabia., Sheikh NS; Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Gadong BE1410, Brunei., Shawish I; Department of Math and Sciences, College of Humanities and Sciences, Prince Sultan University, Riyadh, 11586, Saudi Arabia., Bukhamsin HA; Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, 31982, Saudi Arabia., Al-Hudairi DE; Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, 31982, Saudi Arabia., Wee ALX; Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Gadong BE1410, Brunei., Hamid MHSA; Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Gadong BE1410, Brunei., Maache SA; Leading National Academy, Khobar Niagara College, Al Khobar, Saudi Arabia., Al-Rasheed HH; Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia., Barakat A; Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia., El-Faham A; Chemistry Department, Faculty of Science, Alexandria University, Alexandria, 21321, Egypt., Abd El-Lateef HM; Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, 31982, Saudi Arabia.
Jazyk: angličtina
Zdroj: Royal Society open science [R Soc Open Sci] 2024 May 08; Vol. 11 (5), pp. 231229. Date of Electronic Publication: 2024 May 08 (Print Publication: 2024).
DOI: 10.1098/rsos.231229
Abstrakt: 4,6-Bis(3,5-dimethyl- 1H -pyrazol-1-yl)- N -phenyl-1,3,5-triazin-2-amine ( PTA-1 ), N -(4-bromophenyl)-4,6-bis(3,5-dimethyl- 1H -pyrazol-1-yl)-1,3,5-triazin-2-amine ( PTA-2 ) and 4,6-bis(3,5-dimethyl- 1H -pyrazol-1-yl)- N -(4-methoxyphenyl)-1,3,5-triazin-2-amine ( PTA-3 ) were synthesized and characterized. Their corrosion inhibition of carbon C-steel in 0.25 M H 2 SO 4 was studied by electrochemical impedance. The inhibition efficiency (IE%) of triazine was superior due to the cumulative inhibition of triazine core structure and pyrazole motif. Potentiodynamic polarizations suggested that s -triazine derivatives behave as mixed type inhibitors. The IE% values were 96.5% and 93.4% at 120 ppm for inhibitor PTA-2 and PTA-3 bearing -Br and -OCH 3 groups on aniline, respectively. While PTA-1 without an electron donating group showed only 79.0% inhibition at 175 ppm. The adsorption of triazine derivatives followed Langmuir and Frumkin models. The values of adsorption equilibrium constant K ° ads and free energy change Δ G ° ads revealed that adsorption of inhibitor onto steel surface was favoured. A corrosion inhibition mechanism was proposed suggesting the presence of physical and chemical interactions. Density functional theory computational investigation corroborated nicely with the experimental results. Monte Carlo simulation revealed that the energy associated with the metal/adsorbate arrangement d E ads /d N i , for both forms of PTA-2 and PTA-3 with electron donating groups (-439.73 and -436.62 kcal mol -1 ) is higher than that of PTA-1 molecule (-428.73 kcal mol -1 ). This aligned with experimental inhibition efficiency results.
Competing Interests: We declare we have no competing interests.
(© 2024 The Authors.)
Databáze: MEDLINE
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