Molecular modelling of compounds used for corrosion inhibition studies: a review
Molecular modelling of organic compounds using computational software has emerged as a
powerful approach for theoretical determination of the corrosion inhibition potential of …
powerful approach for theoretical determination of the corrosion inhibition potential of …
Heterocyclic biomolecules as green corrosion inhibitors
Bioinspired heterocyclic organic molecules have high significance as potential substitutes to
the existing inhibitor chemistries, which are considered toxic and costly. Here, we provided a …
the existing inhibitor chemistries, which are considered toxic and costly. Here, we provided a …
New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 MH2SO4, High Efficiency at Low Concentration: Experimental and Theoretical Studies
A new aromatic Schiff base with azo linkage has been synthesized and characterized by FT-
IR, 1H-NMR, and 13C-NMR spectroscopy. The new compound 2-(((5-mercapto-1, 3, 4 …
IR, 1H-NMR, and 13C-NMR spectroscopy. The new compound 2-(((5-mercapto-1, 3, 4 …
A high-efficiency corrosion inhibitor of N-doped citric acid-based carbon dots for mild steel in hydrochloric acid environment
Y Ye, D Yang, H Chen, S Guo, Q Yang, L Chen… - Journal of hazardous …, 2020 - Elsevier
Novel N-doped carbon dots (CDs) were obtained through pyrolysis of ammonium citrate at
180° C for 1, 2 and 3 h, and their corrosion inhibition effect on Q235 steel in 1 M HCl solution …
180° C for 1, 2 and 3 h, and their corrosion inhibition effect on Q235 steel in 1 M HCl solution …
Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional …
Synthesis of challenging corrosion inhibitors is of prime importance to inhibit hydrogen-
induced and localised metallic corrosion occur in the corrosive acidic solution. In this regard …
induced and localised metallic corrosion occur in the corrosive acidic solution. In this regard …
Effect of electron donating functional groups on corrosion inhibition of mild steel in hydrochloric acid: Experimental and quantum chemical study
The corrosion inhibition performance of three triazine derivatives namely 4-((2-(5, 6-diphenyl-
1, 2, 4-triazin-3-yl) hydrazineylidene) methyl)-N, N-dimethylaniline (HT-1), 3-(2-(4 …
1, 2, 4-triazin-3-yl) hydrazineylidene) methyl)-N, N-dimethylaniline (HT-1), 3-(2-(4 …
Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion …
Corrosion inhibition mechanism of two mercapto-quinoline Schiff bases, eg., 3-
((phenylimino) methyl) quinoline-2-thiol (PMQ) and 3-((5-methylthiazol-2-ylimino) methyl) …
((phenylimino) methyl) quinoline-2-thiol (PMQ) and 3-((5-methylthiazol-2-ylimino) methyl) …
Adsorption and corrosion inhibition effect of Schiff base molecules on the mild steel surface in 1 M HCl medium: a combined experimental and theoretical approach
Corrosion inhibition performance of 2-(2-hydroxybenzylideneamino) phenol (L1), 2-(5-
chloro-2-hydroxybenzylideneamino) phenol (L2) and 2-(2-hydroxy-5-nitrobenzylideneamino …
chloro-2-hydroxybenzylideneamino) phenol (L2) and 2-(2-hydroxy-5-nitrobenzylideneamino …
Novel quinoline derivatives as green corrosion inhibitors for mild steel in acidic medium: electrochemical, SEM, AFM, and XPS studies
The corrosion mitigation effect of quinoline derivatives such as 2-amino-7-hydroxy-4-phenyl-
1, 4-dihydroquinoline-3-carbonitrile (Q-1), 2-amino-7-hydroxy-4-(p-tolyl)-1, 4 …
1, 4-dihydroquinoline-3-carbonitrile (Q-1), 2-amino-7-hydroxy-4-(p-tolyl)-1, 4 …
Evaluating electronic structure of quinazolinone and pyrimidinone molecules for its corrosion inhibition effectiveness on target specific mild steel in the acidic medium …
The quantum chemical calculations, based on density functional theory, have been
implemented to explore the corrosion inhibition mechanism and the corresponding inhibition …
implemented to explore the corrosion inhibition mechanism and the corresponding inhibition …