Synthesis, characterization, experimental and theoretical calculations (DFT and MC) of ethoxylated aminothiazole as inhibitor for X65 steel corrosion in highly aggressive acidic media

One step reaction mechanism was employed to synthesize ethoxylated aminomethylethiazole derivatives characterized by spectroscopic methods (FTIR, (HNMR)-H-1 and (CNMR)-C-13). Gravimetric and electrochemical techniques were employed to evaluate the mitigation efficiency of the as-prepared for X65 carbon steel corrosion in 15% (v/v) HCl. The surface coverage and the inhibition performance were functions in the surfactant type, concentration and temperature. Tafel data indicates that, the 1 x 10(-3) M (EO, 12) shows maximum inhibition 95.5% at 25 degrees C Inhibitory action of these compounds over X65 obey Langmuir model. SEM and EDX confirm the formation of adsorbed-protective layer over X65 surface. DFT calculations and MC simulations support the obtained experimental data: where, the adsorption ability of EO, 12 is the highest. (C) 2019 Elsevier B.V. All rights reserved.