Computational and experimental evaluation of the acid corrosion inhibition of steel by tacrine

The electronic parameters of tacrine were evaluated by quantum chemical method to assess its corrosion inhibition potential. Further, it was confirmed by chemical and electrochemical studies on steel in 1.0 M HCl and 0.5 M H2SO4. It was found that tacrine performed better than the quantum prediction which is attributed to the planarity of the molecule. Also, tacrine is found to be more efficient in 1.0 M HCl than in 0.5 M H2SO4, which according to potential of zero charge study, is due to acid anions Cl− and SO42-. Tacrine pursued Langmuir adsorption isotherm.

► Acid corrosion inhibition.
► Planar molecule having fused rings.
► Drugs.
► Theoretical prediction.
► Prediction is verified experimentally.