Effect of substituent dependent molecular structure on anti-corrosive behavior of one-pot multicomponent synthesized pyrimido [2,1-B] benzothiazoles: Computer modelling supported experimental studies
By Verma, Chandrabhan; Quraishi, M. A.; Obot, I. B.; Ebenso, Eno E.
Published in Journal of Molecular Liquids
2019
Abstract
The present study is designed to demonstrate the substituent dependent molecular structures on inhibition property of four heterocyclic compounds containing nitrogen, sulfur and oxygen atoms for mild steel corrosion in 1 M HCl. Their inhibition effect was measured using weight loss, open circuit potential (OCP), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and atomic force microscopy (AFM) and computational methods. Outputs of the experimental and computation studies showed that their inhibition efficiencies followed the order: PBT-IV (