TY - JOUR
T1 - Synthesis and corrosion inhibition evaluation of a new schiff base hydrazone for mild steel corrosion in HCl medium
T2 - electrochemical, DFT, and molecular dynamics simulations studies
AU - Chafiq, Maryam
AU - Chaouiki, Abdelkarim
AU - Lgaz, Hassane
AU - Salghi, Rachid
AU - Gaonkar, Santosh L.
AU - Bhat, K. Subrahmanya
AU - Marzouki, Riadh
AU - Ali, Ismat H.
AU - Khan, Mohammad I.
AU - Shimizu, Hiroki
AU - Chung, Ill Min
N1 - Publisher Copyright:
© 2019, © 2019 Informa UK Limited, trading as Taylor & Francis Group.
PY - 2020/6/17
Y1 - 2020/6/17
N2 - The development of cost-effective, sustainable, eco-friendly and efficient compounds is a renovated science and a demanding assignment for today’s chemists and technology specialists. In this context, the anticorrosion effect of a new Schiff base hydrazone, namely (E)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)benzylidiene)hydrazine-1-carboxamide (MPAH) against the mild steel (MS) surface in 1.0 M HCl has been analyzed utilizing experimental methods, thermodynamic characterizations, and computational studies. MPAH has proven to be an effective inhibitor in 1.0 M HCl solution. Its inhibition performance improved by raising the concentration of the compound to an optimal concentration of 5 × 10−3 M, and 97% efficiency was achieved at 303 K. Inhibitor adsorption on the MS has been explicated with both physical and chemical interactions. The adsorption was in accordance with the isotherm of Langmuir. The impact of MPAH on the surface of MS had been confirmed utilizing SEM/EDX, electrochemical impedance spectroscopy (EIS), gravimetric measurements (WL), and potentiodynamic polarization (PDP). The adsorption of the studied compound on the MS surface has also been investigated by DFT and the molecular dynamics (MD) simulations.
AB - The development of cost-effective, sustainable, eco-friendly and efficient compounds is a renovated science and a demanding assignment for today’s chemists and technology specialists. In this context, the anticorrosion effect of a new Schiff base hydrazone, namely (E)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)benzylidiene)hydrazine-1-carboxamide (MPAH) against the mild steel (MS) surface in 1.0 M HCl has been analyzed utilizing experimental methods, thermodynamic characterizations, and computational studies. MPAH has proven to be an effective inhibitor in 1.0 M HCl solution. Its inhibition performance improved by raising the concentration of the compound to an optimal concentration of 5 × 10−3 M, and 97% efficiency was achieved at 303 K. Inhibitor adsorption on the MS has been explicated with both physical and chemical interactions. The adsorption was in accordance with the isotherm of Langmuir. The impact of MPAH on the surface of MS had been confirmed utilizing SEM/EDX, electrochemical impedance spectroscopy (EIS), gravimetric measurements (WL), and potentiodynamic polarization (PDP). The adsorption of the studied compound on the MS surface has also been investigated by DFT and the molecular dynamics (MD) simulations.
UR - https://www.scopus.com/pages/publications/85077380357
UR - https://www.scopus.com/pages/publications/85077380357#tab=citedBy
U2 - 10.1080/01694243.2019.1707561
DO - 10.1080/01694243.2019.1707561
M3 - Article
AN - SCOPUS:85077380357
SN - 0169-4243
VL - 34
SP - 1283
EP - 1314
JO - Journal of Adhesion Science and Technology
JF - Journal of Adhesion Science and Technology
IS - 12
ER -