Articles with "dft monte" as a keyword



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Investigations on eco-friendly corrosion inhibitors for mild steel in acid environment: Electrochemical, DFT and Monte Carlo Simulation approach

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Published in 2020 at "Colloids and Surfaces A: Physicochemical and Engineering Aspects"

DOI: 10.1016/j.colsurfa.2020.124881

Abstract: Abstract Corrosion is one of the challenging problems faced by most of the industries. Corrosion inhibitors are required to overcome the corrosion problem in these industries. Although a large number of organic corrosion inhibitors are… read more here.

Keywords: mild steel; dft monte; eco friendly; corrosion inhibitors ... See more keywords
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New Benzohydrazide Derivative as Corrosion Inhibitor for Carbon Steel in a 1.0 M HCl Solution: Electrochemical, DFT and Monte Carlo Simulation Studies

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Published in 2019 at "Portugaliae Electrochimica Acta"

DOI: 10.4152/pea.201903147

Abstract: The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E -N'-(2-hydroxybenzylidene) isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization… read more here.

Keywords: monte carlo; hcl solution; dft monte; carbon steel ... See more keywords