Corrosion behaviour of new oxo-pyrimidine derivatives on mild steel in acidic media: Experimental, surface characterization, theoretical, and Monte Carlo studies

• DOI: 10.1016/j.apsadv.2021.100200
• Publication Date: 2021-12-26T16:10:15Z
• Authors: Khaled Saad Miled...; Mothana Ghazi Kad...; Murat Saracoglu; Zülbiye Kokbudak; Savaş Kaya; Muna Omar Abdels ...; Fatma Kandemirli
• Keywords: Physisorption; Langmuir adsorption model; Chemisorption

In this work, the effects of new compounds, namely, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidin-2 (1H)-thione (AMMP), and 1-(5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl) 2-oxopyrimidin-1 (2H)-yl)-3-phenylthiourea (MMOPH) has been successfully investigated as a corrosion inhibitor for mild steel in 1 M HCl solution. This investigation done by electrochemical techniques (potentiodynamic polarization, impedance spectroscopy), surface characterization (scanning electron microscopy with energy dispersive x-ray spectroscopy, atomic force microscopy), theoretical calculations (density function theory Monte Carlo simulation). The results showed that both compounds act mixed-type inhibitors. However, MMOPH is more efficient than AMMP (95.9% compared 84.1% at 5 × 10−4 an immersion time h). Additionally, effect on efficiency was studied. current density reduced presence inhibitors from 517.93 to 56.18 9.96 μA.cm−2 h MMOPH, respectively. substances, Langmuir isotherm system best fit, physisorption chemisorption being types adsorption. indicated can be adsorbed surfaces minimize corrosion. obtained simulation suggest are vertically formation protective layer metal surface. found protonated state reactive neutral agree experimental follow order ˃ AMMP. used aggressive environments.