Combination of Experimental and Computational Insight into the Anti-corrosion Performance of 1-(4-tert-butylphenyl)-4-(4-(benzhydryloxy)piperidin-1-yl)butan-1-one onto C-steel in Acidic Environments

Metals are shielded from corrosion damage using a variety of techniques, including the use of inhibitors. 1-(4-tertbutylphenyl)-
4-(4-(benzhydryloxy)piperidin-1-yl)butan-1-one (known as Ebastine drug) was evaluated as a novel inhibitor for
corrosion of C-steel in HCl (1.0 M) solution. Utilizing weight loss (WL) and potentiodynamic polarization (PDP) approaches,
the inhibitory performance of the Ebastine molecule was investigated. The inhibition efficacy became observed to rise with
incrementing of the Ebastine concentration and diminish with growing temperature. The amounts of activation energy (Ea)
and heat of adsorption (Qads) were enumerated and elucidated. The concept of the adsorption of Ebastine molecules on the
surface of C-steel was used to explain the inhibitory behavior, which constitutes obstruction of charge and mass transfer
give rise to guard the C-steel against the offensive ions. Also, the surface morphology of C-steel immersed in HCl (1.0 M)
solution in the lack and existence of the Ebastine molecule was examined by SEM and AFM. Finally, density functional
theory (DFT) was employed to examine the Ebastine molecule. The mechanism through which Ebastine is adsorbed to the
surface of Fe (110), was estimated by Monte Carlo (MC) simulation.