Investigation of 2-ethoxy-4-(oxiran-2-ylmethyl)phenol as a potentially effective anti-corrosion agent for C38 steel

Abstract

This study presents a comprehensive investigation into the corrosion inhibition efficacy of the compound, 2-ethoxy-4-(oxiran-2-ylmethyl) phenol (EP), on C38 steel surfaces exposed to a highly corrosive 1 M HCl environment. Through a unique integration of experimental techniques—Electrochemical Impedance Spectroscopy (EIS), Potentiodynamic Polarization (PDP), Weight Loss (WL), Scanning Transmission Electron Microscopy coupled with X-ray Energy Dispersive Spectroscopy (STEM/XEDS)—and advanced theoretical methods, including Quantum Chemical Calculations (QCCs), Density Functional Theory (DFT), and Monte Carlo simulations (MCs), the study provides a deep and novel understanding of EP's corrosion inhibition mechanism. The findings reveal that EP acts as a mixed-type inhibitor, achieving a remarkable corrosion inhibition efficiency of approximately 92 % at 298 K by forming a protective layer on the steel surface. Notably, the adsorption of EP is characterized by both physisorption and chemisorption, adhering to the Langmuir isotherm model, a dual-mode mechanism that has been underexplored in similar compounds. The synergy between experimental data and theoretical simulations, particularly the use of DFT and MD simulations, elucidates the molecular interactions and adsorption behaviors that are critical to EP's effectiveness. This novel approach not only confirms EP's potential as a high-performance corrosion inhibitor but also contributes significant insights into the factors that govern corrosion inhibition, advancing the field's understanding of inhibitor design and application. • The positive activation enthalpy suggests that the degradation of C38 steel is an endothermic process. • The inhibitor's ability to form a protective layer on the steel surface and significantly reduce the corrosion rate is demonstrated by these combined results. • The adsorption of EP onto the surface of C38 steel involves both physisorption and chemisorption, in line with the Langmuir isotherm model.