Novel derivative epoxy resin TGETET as a corrosion inhibition of E24 carbon steel in 1.0 M HCl solution. Experimental and computational (DFT and MD simulations) methods

摘要

A new derivative aromatic heteroatom epoxy resin synthesized in our laboratory, namely, triglycidyl ether of triethoxy triazine (TGETET), was characterized by FT-IR spectroscopy. Then, the rheological properties of TGETET were determined by using HAAKE MARS rheometer. Furthermore, the synthesized derivative aromatic heteroatom epoxy resin was evaluated and investigated as corrosion inhibitor of E24 carbon steel (CS) in 1.0 M HCl solution. In addition, the adsorption mechanisms of (CS/TGETET/1.0 M HCl) were analyzed by gravimetric measurements, electrochemical impedance spectroscopy (EIS), ultraviolet-visible spectrophotometry (UV-Vis), scanning electron microscopy (SEM) and theoretical computational studies using DFT and MD simulations. Moreover, the results presented a high dependence of the rheological properties of derivative aromatic heteroatom epoxy resin on frequency, and also, that TGETET has better inhibition performance. A good agreement between the results obtained from theoretical computational (DFT and MD simulations) and experimental methods was observed. The thermodynamic kinetic parameters, showed that the adsorption of the TGETET derivative aromatic heteroatom epoxy resin formed protective layer on E24 carbon steel surface obeyed the Langmuir isotherm model and the adsorption at metal-electrolyte interface involved physisorption. (C) 2019 Published by Elsevier B.V.