Density functional theory studies on the corrosion inhibition of benzoin, benzil, benzoin-(4-phenylthiosemicarbazone) and benzil-(4-phenylthiosemicarbazone) of mild steel in hydrochloric acid

Corrosion inhibition studies of mild steel in aqueous HCl by some sulphonamides have been investigated using weight loss, potentiodynamic polarization (PDP), Electrochemical Impedance Spectroscopy (EIS) and Density Functional Theory (DFT).

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Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds

International Journal of Industrial Chemistry ◽

10.1007/s40090-015-0052-x ◽

2015 ◽

Vol 6 (4) ◽

pp. 297-310 ◽

Cited By ~ 2

Author(s):

Fahimeh Shojaie ◽

Nasser Mirzai-Baghini

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Stainless Steel ◽

Austenitic Stainless Steel ◽

Hydrochloric Acid ◽

Corrosion Inhibition ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Synthesis, characterization and evaluation of the corrosion inhibition on mild steel of two new Schiff bases derived from 4,4'-diaminobiphenyl: Density functional theory investigation

Journal of the Iranian Chemical Society ◽

10.1007/s13738-021-02252-6 ◽

2021 ◽

Author(s):

Abdelghani Madani ◽

Ilhem Kaabi ◽

Lakhdar Sibous ◽

Embarek Bentouhami

Keyword(s):

Density Functional Theory ◽

Mild Steel ◽

Corrosion Inhibition ◽

Schiff Bases ◽

Density Functional ◽

Functional Theory

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Corrosion inhibition behavior of piperidinium based ionic liquids on Q235 steel in hydrochloric acid solution: Experimental, density functional theory and molecular dynamics study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2021.126708 ◽

2021 ◽

pp. 126708

Author(s):

Ambrish Singh ◽

K.R. Ansari ◽

Priyabrata Banerjee ◽

Manilal Murmu ◽

M.A. Quraishi ◽

...

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Ionic Liquids ◽

Hydrochloric Acid ◽

Acid Solution ◽

Corrosion Inhibition ◽

Hydrochloric Acid Solution ◽

Density Functional ◽

Functional Theory ◽

Experimental Density

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Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115531 ◽

2021 ◽

Vol 329 ◽

pp. 115531

Author(s):

Dakeshwar Kumar Verma ◽

Savaş Kaya ◽

Elhachmia Ech-chihbi ◽

Fadoua El-Hajjaji ◽

Mayur Mausoom Phukan ◽

...

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Mild Steel ◽

Acidic Medium ◽

Density Functional ◽

Corrosion Inhibitors ◽

Simulation Approach ◽

Functional Theory ◽

Aqueous Acidic Medium

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Corrosion Inhibition Studies of Metals in Acid Media by Fibrous Plant Biomass Extracts and Density Functional Theory: A Mini-Review

Journal of Natural Fibers ◽

10.1080/15440478.2020.1818345 ◽

2020 ◽

pp. 1-11

Author(s):

Julius U. Ani ◽

I. O. Obi ◽

Kovo G. Akpomie ◽

Samson I. Eze ◽

G. Nwatu

Keyword(s):

Density Functional Theory ◽

Corrosion Inhibition ◽

Density Functional ◽

Plant Biomass ◽

Acid Media ◽

Functional Theory ◽

Inhibition Studies

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Theoretical studies on the corrosion inhibition performance of three amine derivatives on carbon steel: Molecular dynamics simulation and density functional theory approaches

Journal of the Taiwan Institute of Chemical Engineers ◽

10.1016/j.jtice.2016.02.010 ◽

2016 ◽

Vol 62 ◽

pp. 313-321 ◽

Cited By ~ 39

Author(s):

Mehdi Shahraki ◽

Maryam Dehdab ◽

Shirin Elmi

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Molecular Dynamics Simulation ◽

Carbon Steel ◽

Corrosion Inhibition ◽

Density Functional ◽

Dynamics Simulation ◽

Theoretical Studies ◽

Functional Theory ◽

Inhibition Performance

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