Novel porphyrin derivatives as corrosion inhibitors for stainless steel 304 in acidic environment: synthesis, electrochemical and quantum calculation studies

A Novel 5,10,15,20-tetra (thiophen-2-yl) porphyrin (P1) and 5,10,15,20-tetrakis (5-Bromothiophen-2-yl) porphyrin (P2) were successfully synthesized, and their chemical structures were proved based on its correct elemental analysis and spectral data (IR and (1)H-NMR). These compounds were examined as corrosion inhibitors for stainless steel 304 (SS304) in 2 M HCl utilizing mass reduction (MR) and electrochemical tests at inhibitor concentration (1 × 10(–6)–21 × 10(–6) M). The protection efficiency (IE %) was effectively enhanced with improving the concentration of investigated compounds and reached 92.5%, 88.5% at 21 × 10(–6) M for P1 & P2, respectively and decreases with raising the temperature. Langmuir's isotherm was constrained as the best fitted isotherm depicts the physical–chemical adsorption capabilities of P1 & P2 on SS304 surface with change in ΔG(o)(ads) = 22.5 kJ mol(−1). According to the PDP data reported, P1 and P2 work as mixed find inhibitors to suppress both cathodic and anodic processes. Porphyrin derivatives (P1 & P2) are included on the surface of SS304, according to surface morphology techniques SEM/EDX and AFM. Quantum calculations (DFT) and Monte Carlo simulation (MC) showed the impact of the chemical structure of porphyrin derivatives on their IE %.