In-depth assessment of new coumarin derivative based on azo dye and Schiff base as an effective corrosion inhibitor for steel in 1 M HCl solution and anti sulphate reducing bacteria: Insights from computational and experimental techniques.

[Display omitted] • A dose of 7.5 × 10−4 M demonstrated a high effectiveness level, surpassing 97 %. • Adsorption studies indicated that PAEOD chemically adheres according to the Langmuir isotherm. • SEM analysis confirmed the formation of a protective PAEOD layer on the steel. • DFT and MC/MD studies revealed that the PAEOD compound binds to the steel substrate. • Anti-SRB and docking simulations showed that PAEOD impacts the growth of SRB. This paper examines the innovative application of PAEOD as a corrosion suppressant for steel in an acidic environment with a concentration of 1.0 M HCl. The inhibitory potential of PAEOD has been comprehensively evaluated through the utilization of diverse analytical approaches, including electrochemical tests, gravimetric analysis, and scanning electron microscopy (SEM) assessments. The results suggest that there is a correlation between concentration and the enhancement of corrosion resistance, hence categorizing PAEOD as a mixed-type inhibitor. The maximum inhibitory efficiency was observed at a concentration of 7.50 × 10-4 M, resulting in a remarkable efficiency of 98.84 % at a temperature of 298 K. The electrochemical investigation demonstrated a significant rise in the values of charge transfer resistance (R ct) and polarization resistance (R p), accompanied by a reduction in the Constant Phase Element (CPE. Yo) value to 74.01 μF. These findings suggest an improved capacity for inhibiting corrosion. Theoretical studies have revealed a significant interaction between PAEOD and the steel surface, as evidenced by the utilization of density functional theory (DFT) and Monte Carlo/ Molecular dynamic (MC/MD) techniques. This interaction indicates the presence of exceptional anti-corrosion properties at the micro-level. The impact of PAEOD on the growth of sulphate reducing bacteria (SRB) was found to be substantial, as indicated by the findings derived from BART™ Vials. In summary, this work establishes PAEOD as a potentially effective corrosion inhibitor, offering significant contributions to the field of corrosion prevention strategies through its important insights. [ABSTRACT FROM AUTHOR]