Understanding the Adsorption of Quinoxaline Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Medium: Experimental, Theoretical and Molecular Dynamic Simulation Studies
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The anti-corrosive properties of (E)-3-styrylquinoxalin-2(1H)-one (STQ), (E)-1-benzyl-3-(4-methoxystyryl)
quinoxalin-2(1H)-one (BMQ) and (E)-3-(2-(furan-2-yl) vinyl) quinoxalin-2(1H)-one (FVQ) were analyzed by different
techniques such as: potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), weight loss (WL)
and molecular modeling by DFT method and Monte Carlo simulation studies. All quinoxaline derivatives showed
appreciable inhibition efficiency. Among the quinoxaline derivatives studied, BMQ exhibited the best inhibition
efficiency. The results from the experimental and theoretical investigations show that the order of inhibition efficiency
by the quinoxaline derivatives follow the order BMQ > FVQ> STQ. The experimental results suggest that the three
tested inhibitors function as mixed-type compounds and the inhibition efficiency increases with the increase in inhibitor
concentration and decreased with temperature. Adsorption of the three compounds on mild steel (MS) surface obeys
Langmuir’s isotherm model. The theoretical study by DFT method, Monte Carlo simulation and radial distribution
function (RDF) provided strong evidence that the inhibition efficiency of quinoxaline derivatives is due to their ability to
adsorb strongly at the MS surfaces, which is supportive of the obtained experimental results.

Journal
Title
Journal of Steel Structures & Construction
Publisher
Journal of Steel Structures & Construction
Publisher Country
India
Publication Type
Both (Printed and Online)
Volume
2
Year
2016
Pages
1-17