A DFT and Molecular Dynamics Study on Inhibitory Action of Three Amine Derivatives on Corrosion of Carbon Steel

Subject Areas : Polymer

Mohammad Hossein Ghorbani ¹ , Maryam Dehdab ²

1 - Department of Chemistry, Faculty of Sciences, Islamic Azad University, South Tehran Branch, Tehran, Iran.
2 - Department of Chemistry, University of Sistan and Baluchestan, Zahedan,Iran

Received: 2016-12-31 Accepted : 2016-12-31 Published : 2017-01-01

Keywords: Corrosion, Molecular dynamics simulation, Inhibition efficiencies, Quantum Chemical Parameters, Carbon Steel,