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The inhibition behavior of two pyrimidine-pyrazole derivatives against corrosion in hydrochloric solution: Experimental, surface analysis and in silico approach studies

Nаdiа АrrousseLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME), Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fez, MoroccoRajae SalimLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME), Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fez, MoroccoYassine KaddouriLaboratory of Applied Chemistry and Environment (LCAE), Faculty of Sciences, University Mohammed Premier Oujda, MoroccoA. ZarroukLaboratory of Materials, Nanotechnology and Environment, Departement of Chemistry, Faculty of Sciences, Mohammed V University, Rabat, MoroccoDriss ZahriLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME), Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fez, MoroccoF. El HajjajiLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME), Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fez, MoroccoRachid TouzaniLaboratory of Applied Chemistry and Environment (LCAE), Faculty of Sciences, University Mohammed Premier Oujda, MoroccoM. TalebLaboratory of Engineering, Electrochemistry, Modeling and Environment (LIEME), Faculty of Sciences, University Sidi Mohamed Ben Abdellah, Fez, MoroccoS. JodehDepartment of chemistry, An-Najah National University, P.O. Box 7, Nablus, Palestine

2020en

ABI

Annotatsiya

Two pyrimidine-pyrazole derivatives have been investigated as corrosion inhibitors for mild steel in acidic medium using weight loss measurement, polarization curve and electrochemical impedance spectroscopy (EIS). The results obtained reveal that these compounds perform as corrosion inhibitors for mild steel in 1 M HCl. The values of inhibition efficiency calculated from three experimental techniques are reasonably in good agreement. The adsorption process of these compounds on surface of mild steel obeys to El Awady isotherm. Also, the adsorption process of inhibitors studied explaining by surface analysis (EDX). This work followed by in silico approach studies. Firstly, we used Marvinsketch.18 program in order to detect predominant form of inhibitors in electrolytic solution and then computed by Gaussian 09 based on the DFT method at B3LYP/6-31G (d,p).The results obtained theoretically are in good correlation with those obtained experimentally.

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DOI: 10.1016/j.arabjc.2020.04.030

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