Title of article
Experimental, quantum chemical and Monte Carlo simulations studies on the corrosion inhibition of mild steel in 1 M HCl by two benzothiazine derivatives
Author/Authors
saadouni, m. ibn tofaïl university - faculty of science - laboratory of organic, organometallic and theoretical chemistry, Kenitra, Morocco , galai, m. university of ibn tofail - faculty of sciences - laboratory of materials engineering and environment: modeling and applications (lmeema), Kenitra, Morocco , el aoufir, y. university of ibn tofail - faculty of science - laboratory separation processes, Kenitra, Morocco , el aoufir, y. mohammed v university - faculty of sciences - laboratory of nanotechnology, materials environment, Rabat, Morocco , skal, s. mohammed v university - faculty of sciences - laboratory of nanotechnology, materials environment, Rabat, Morocco , boukhris, s. ibn tofaïl university - faculty of science - laboratory of organic, organometallic and theoretical chemistry, Kenitra, Morocco , hassikou, a. ibn tofaïl university - faculty of science - laboratory of organic, organometallic and theoretical chemistry, Kenitra, Morocco , ebn touhami, m. university ibn tofail - faculty of sciences - laboratory of materials engineering and environment: modeling and applications (lmeema), Kenitra, Morocco , guenbour, a. mohammed v university - faculty of sciences - laboratory of nanotechnology, materials environment, Rabat, Morocco , el khlifi, a. université ibn tofaïl - faculté des sciences - laboratoire de biotechnologie, environnement et qualité, Kénitra, Morocco , oudda, h. university ibn tofail - faculty of science - laboratory separation processes, Kenitra, Morocco , habbadi, n. ibn tofaïl university - faculty of science - laboratory of organic, organometallic and theoretical chemistry, Kenitra, Morocco , souizi, a. ibn tofaïl university - faculty of science - laboratory of organic, organometallic and theoretical chemistry, Kenitra, Morocco
From page
2493
To page
2504
Abstract
Two benzothiazine derivatives namely, Methyl 3-hydroxy-2-(p-tolyl)-3,4-dihydro- 2H-benzo[b][1,4]thiazine-3-carboxylate (MBT), Ethyl 3-hydroxy-2-(p-tolyl)-3,4- dihydro-2H-benzo[b][1,4]thiazine-3-carboxylate (EBT) were examined as a corrosion inhibitors for mild steel in 1.0 M HCl using electrochemical impedance spectroscopy (EIS) and potentiometric polarization (PDP). The results show that both compounds are good inhibitors and their inhibition efficiencies reached 97% at 10^-3 M. The percentage inhibition efficiency (η %) increased with the increase of inhibitor concentration due to the adsorption of the inhibitory molecules on the metal surface. The Tafel polarization study revealed that both inhibitors act as a mixed type inhibitor. Furthermore, it has been established that the adsorption follows the Langmuir adsorption isotherm. Quantum chemical parameters were calculated using the Density Functional Theory (DFT) method and Monte Carlo simulations. The correlation between theoretical and experimental results was discussed.
Keywords
Benzothiazine , Corrosion inhibition , Mildsteel , MonteCarlo , HCl Electrochemicalmethods
Journal title
Journal of Materials and Environmental Science
Journal title
Journal of Materials and Environmental Science
Record number
2583451
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