A preliminary investigation of corrosion inhibition of mild steel in 0.5 M H₂SO₄ by 2-amino-5-(n-pyridyl)-1,3,4-thiadiazole: Polarization, EIS and molecular dynamics simulations

The efficiency, as steel corrosion inhibitors in 0.5 M H₂SO₄, of two thiadiazole derivatives, 2-amino-5-(3-pyridyl)-1,3,4-thiadiazole (3-APTD) and 2-amino-5-(4-pyridyl)-1,3,4-thiadiazole (4-APTD), was investigated by polarization and electrochemical impedance spectroscopy. The protection efficiency increases with increasing inhibitors concentration, but the temperature has hardly effect on the inhibition efficiency of APTD. The adsorption of APTD on iron surface obeys the Langmuir isotherm. The experimental results show that the inhibition efficiency of 4-APTD is higher than that of 3-APTD, and the molecular dynamics (MD) simulations show that the adsorption of 4-APTD on iron surface has the higher binding energy than that of 3-APTD.