Highly efficient eco-friendly corrosion inhibitor for mild steel in 5 M HCl at elevated temperatures: experimental & molecular dynamics study
Muhsen A. M. El-HaddadMaterials Science & Technology Program, College of Arts and Sciences, Qatar University, Doha, P.O. Box 2713, QatarAhmed Bahgat RadwanCenter for Advanced Materials, Qatar University, Doha, P.O. Box 2713, QatarMostafa H. SliemCenter for Advanced Materials, Qatar University, Doha, P.O. Box 2713, QatarWalid M. I. HassanChemistry Department, Faculty of Science, Cairo University, Giza, 12613, EgyptAboubakr M. AbdullahCenter for Advanced Materials, Qatar University, Doha, P.O. Box 2713, Qatar. [email protected]
2019en
ABI
Abstract
Laurhydrazide N'-propan-3-one was used as an eco-friendly inhibitor for the corrosion of mild steel in 5 M HCl at elevated temperatures. Various electrochemical techniques and surface characterization methods were utilized in this study. In addition, the kinetics and thermodynamic parameters were calculated and discussed. Furthermore, a geometry optimization of LHP was performed and the time-dependent density functional theory was utilized to calculate the electronic absorption spectra. Finally, frequency calculations were, also, performed on the optimized geometry.
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