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Keywords: Quantum chemical calculation
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Journal Articles
Experimental and computational study of imidazole-pyridine and its derivatives as corrosion inhibitors on brass in sulfuric acid solution
Available to Purchase
Journal:
Anti-Corrosion Methods and Materials
Anti-Corrosion Methods and Materials (2023) 70 (6): 402–417.
Published: 25 August 2023
... behavior of imidazopyridine and its three derivatives on brass by using quantum chemical calculation (Gaussian 09), molecular dynamics simulation (M-S) and Langmuir adsorption isotherm. Findings According to the results, imidazole-pyridine and its derivatives were found to be modest or moderately mixed...
Journal Articles
Theoretical and experimental investigations on corrosion control of mild steel in hydrochloric acid solution by 4-aminothiophenol
Available to Purchase
Journal:
Anti-Corrosion Methods and Materials
Anti-Corrosion Methods and Materials (2019) 66 (1): 127–137.
Published: 12 December 2018
...Resit Yildiz; Basak Dogru Mert Purpose This paper aims to study inhibitory effect of 4-aminothiophenol on the corrosion of mild steel (MS) in 0.5 M HCl. Design/methodology/approach In this study, electrochemical experiments, quantum chemical calculations, potentiodynamic measurements, linear...
Journal Articles
Quantum chemical studies on some new bipyrazole derivatives as corrosion inhibitors for steel materials
Available to Purchase
Journal:
Anti-Corrosion Methods and Materials
Anti-Corrosion Methods and Materials (2016) 63 (3): 231–235.
Published: 03 May 2016
...Hong Ju; Jiejing Chen; Can Sun; Yan Li Purpose The purpose of this study is to perform quantum chemical calculations based on the DFT method on four bipyrazoles used as corrosion inhibitors for the plain carbon (“mild”) steel in acid media to determine the relationship between inhibition...
