Synthesis and anticorrosive properties of epoxy polymer for CS in [1 M] HCl solution: Electrochemical, AFM, DFT and MD simulations

Abstract

Novel derivative epoxy polymer such as 2,4,6-tris(4-(2-(4-(2-methoxy oxiran) phenyl) propan-2-yl) phenoxy)-1,3,5-triazine (EPT) was developed as investigated anticorrosive performance for carbon steel (CS) in [1 M] HCl medium. Moreover, the anticorrosive performance of EPT for CS in [1 M] HCl medium was employed using stationary (weight loss (WL)) and transient methods (electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP)), effect of temperature, adsorption isotherm, atomic force microscope (AFM), density functional theory (DFT) and molecular dynamics (MD) simulations. Then, EPT inhibitor polymer showed higher inhibitory efficiencies at 10-3 [M] for EIS, PDP and WL measurements are 95.02, 94.23 and 92.49, respectively. AFM analysis shows that the EPT epoxy polymer can be significantly stopped the acid attack by chemical adsorption on the area of the carbon steel. Further, EPT was identified using Fourier transform infrared (FTIR) spectroscopy. In addition, PDP characterization indicated that EPT inhibitor polymer acts as a mixed inhibitor and its adsorption of EPT obeyed Langmuir adsorption isotherm model. Also, all chemical descriptors obtained by DFT suggest that the EPT macromolecule is very well adsorbed by the adhesion centers on CS surface. The adsorption energies obtained by MD simulations for all temperatures investigated are negative and spontaneous adsorption could be expected. These computational approaches again support our experimental results and EPT could be used as potential inhibitor for carbon steel in [1 M] HCl medium.