Electrochemical and quantum chemical study of peculiarities of 2,5-di-Me-pyrazine-di-N-oxide oxidation in the presence of methanol at single-walled and multi-walled carbon nanotube paper electrodes

The use of methanol (MeOH) in direct methanol fuel cells explains the interest in the search for new electrode materials and catalysts that allow the oxidation of MeOH to be...

Electrochemical and quantum chemical study to assess the role of (2E)-2-(furan-2-ylmethylidene) hydrazine carbothioamide as inhibitor for acid corrosion of mild steel

Synthesis and inhibition effectiveness of (2E)-2-(furan-2-ylmethylidene) hydrazine carbothioamide (FMHC) as an inhibitor for corrosion of mild steel in 0.5 M H2SO4 is reported. Experiments were conducted at various temperatures (303–323 K) by adopting potentiodynamic polarization and electrochemical impedance spectroscopy. Readings obtained demonstrated that percentage inhibition efficiency (% IE) improved with the upsurge in the concentration of FMHC, while it decreased with a rise in temperature. The highest % IE observed was 60% for 2.5 × 10–4 M FMHC at 303 K. FMHC worked moderately as a mixed inhibitor. FMHC obeyed the Langmuir model of adsorption and the mode of adsorption was physisorption on the mild steel surface which was further endorsed by examining the surface using the scanning electron microscope. A clear insight into the mechanistic features of corrosion inhibition by using FMHC was acquired. Calculation of activation parameters helped to suggest an appropriate mechanism for the adsorption of FMHC on mild steel through quantum chemical calculations using density functional theory (DFT). Graphical abstract