The Blue Tansy Essential Oil–Petra/Osiris/Molinspiration (POM) Analyses and Prediction of Its Corrosion Inhibition Performance Based on Chemical Composition

Sustainable materials encompass a diverse range of substances used in both consumer and industrial domains. These materials are sourced in quantities that safeguard non-renewable resources and environmental equilibrium, with a focus on bio-based alternatives derived from plants. This study investigates the corrosion inhibition potential of two distinct Blue Tansy essential oils (BTES 1 and BTES 2) with varying chemical compositions. Corrosion resistance for mild steel in 1 M HCl environment was assessed using weight loss and Potentiodynamic polarization techniques. The evaluation of BTES 1 and BTES 2 revealed compelling insights. Notably, their inhibition efficiency exhibited an intriguing, damped oscillation pattern with fluctuating concentrations. Remarkably, at 0.5 g/L concentration, BTES 1 achieved an impressive 80% inhibition, while BTES 2 demonstrated a substantial 70% inhibition at 2.5 g/L. This behavior stems from intricate interactions among active compounds, leading to protective film formation and competitive adsorption effects. Importantly, congruence between weight loss measurements and potentiodynamic polarization curves fortified the reliability of outcomes. The study also confirmed BTES as a mixed-type inhibitor, as indicated by polarization curves. Furthermore, Petra/Osiris/Molinspiration (POM) analyses were conducted to unravel molecule interactions, elucidate toxicity risks, and assess bioactivity scores. This comprehensive exploration sheds light on the interplay between sustainable materials, corrosion inhibition efficacy, and complex molecular dynamics, enhancing our understanding of environmentally conscious corrosion prevention strategies.