Title of article :
Experimental and Quantum Chemical Analysis of New Pyrimidothiazine Derivative as Corrosion Inhibitor for Mild Steel in 1.0 M Hydrochloric Acid Solution
Author/Authors :
Larouj, Mohamed Laboratory separation processes - Faculty of Science - University Ibn Tofail, Morocco , Lgaz, Hassane Laboratory separation processes - Faculty of Science - University Ibn Tofail, Morocco , Salghi, Rachid Laboratory of Environmental Engineering and Biotechnology - ENSA - University Ibn Zohr, Morocco , Serrar, Houda Laboratory of Organic Synthesis - Organometallic and theoretical - Faculty of Sciences - University Ibn Tofail, Morocco , Boukhris, Said Laboratory of Organic Synthesis - Organometallic and theoretical - Faculty of Sciences - University Ibn Tofail, Morocco , Jodeh, Shehdeh Department of Chemistry - An-Najah National University
Abstract :
The corrosion inhibition efficiency of pyrimidothiazine compound, namely: 8-ethyl-3-hydroxy-4,6-dioxo-2-(p-tolyl)-4,6-dihydropyrimido [2,1-b][1,3] thiazine-7carbonitrile (EHDPTC), was evaluated in the system steel/1 M HCl. This compound is investigated experimentally using weight loss, potentiodynamic polarization curves and electrochemical impedance spectroscopy. The results showed that the inhibition mechanism involves blockage of the steel surface by the inhibitor molecules by a Langmuir-type adsorption process and that the structure of molecule plays an important role in the inhibition efficiency of the synthesized inhibitor. The thermodynamic parameters of activation and adsorption have been calculated and discussed in detail. Furthermore, the quantum chemical parameters have been calculated and discussed in view of the results earlier reported.
Keywords :
Corrosion inhibition , Mild Steel , HCl , pyrimidothiazine , DFT
Journal title :
Astroparticle Physics
