Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Bourzi, Hassan; Oukhrib, Rachid; El Ibrahimi, Brahim; Abou Oualid, Hicham; Abdellaoui, Youness; Balkard, Bouchra; El Issami, S.; Hilali, Mustapha; Bazzi, Lahcen; Len, Christophe

doi:10.3390/su12083304

Public

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Shared by NobleBlocks on Apr 18, 2020 • 12:00 AM UTC

Authors:

Hassan Bourzi

Rachid Oukhrib

Brahim El Ibrahimi

Abstract

Nowadays, theoretical calculation tools have become powerful in predicting the behavior of corrosion inhibitors on the surface of metals and, therefore, avoiding energy consumption and the cost of experimental tests. This work aims to predict the inhibitory power of some furan derivatives on Cu (111...

Subject

Furfural

Chemistry

Electronegativity

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