Browsing Research Output by Subject "Quantum chemical calculation"
Now showing items 1-4 of 4
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Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: experimental, DFT and MD studies
(Elsevier, 2017)Three novel amino acids based corrosion inhibitors namely 2-(3-(carboxymethyl)-1H-imidazol-3-ium-1-yl)acetate (AIZ-1), 2-(3-(1-carboxyethyl)-1H-imidazol-3-ium-1-yl)propanoate (AIZ-2) and 2-(3-(1-carboxy-2-phenylethyl)-1H ... -
Cimetidine as an Effective Corrosion Inhibitor for Mild Steel in Hydrochloric Acid
(CITESEERX, 2014)The performance of Cimetidine (2-cyano- 1-methyl- 3-(2-[(5-methyl- 1H-imidazol- 4-yl)methylthio]ethyl)guanidine) as corrosion inhibitor for mild steel in 1 M HCl was thoroughly investigated by weight loss and electrochemical ... -
Dendrimers: a new class of corrosion inhibitors for mild steel in 1 M HCl: experimental and quantum chemical studies
(Elsevier, 2016)The inhibition properties of two ammonia cored dendrimers have been investigated for mild steel corrosion in 1 M hydrochloric acid solution using chemical, electrochemical, surface and quantum chemical calculation methods. ... -
Experimental and theoretical investigation of the inhibitory effect of new pyridazine derivatives for the corrosion of mild steel in 1 M HCl
(Elsevier, 2017)The effects of four pyridazine derivatives namely, 2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile (P1), 3-(6-chloro-3-pyridazinyl)-1H-indole (P2), 4-(6-chloropyridazin-3-yl)benzoic acid (P3) and 3-(6-chloropyridazin-3-yl)benzoic ...