In Silico Approaches for Some Sulfa Drugs as Eco-Friendly Corrosion Inhibitors of Iron in Aqueous Medium

In Silico Approaches for Some Sulfa Drugs as Eco-Friendly Corrosion Inhibitors of Iron in Aqueous Medium

This paper addresses the prediction of the adsorption behavior as well as the inhibition capacity of non-toxic sulfonamide-based molecules, also called sulfa drugs, on the surface of mild steel. The study of the electronic structure was investigated through quantum chemical calculations using the de...

Full description

Bibliographic Details
Main Authors: Soukaina Alaoui Mrani, Nadia Arrousse, Rajesh Haldhar, Abdellatif Ait Lahcen, Aziz Amine, Taoufiq Saffaj, Seong-Cheol Kim, Mustapha Taleb
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Lubricants
Subjects:
sulfonamide derivatives
toxicity
solubility
DFT calculations
MC simulation
Online Access:https://www.mdpi.com/2075-4442/10/3/43

Internet

https://www.mdpi.com/2075-4442/10/3/43

Similar Items