2022
DOI: 10.1080/01694243.2022.2055347
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Recent progress in epoxy resins as corrosion inhibitors: design and performance

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Cited by 19 publications
(9 citation statements)
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“…Figure 12 reveals that electrophilic reactivity is related to positive (blue) areas of ESP, while nucleophilic reactivity is associated with negative (red) regions, And that the electron-richest regions are primarily near conjugated bonds and heteroatoms, which promotes the creation of a chelate on the MS surface by electron transfer from amide and hydroxy groups to the “d” orbital of the Fe atom and the chemical adsorption of CMEA, which results in the development of a covalent coordination bond [ 65 , 66 ].…”
Section: Resultsmentioning
confidence: 99%
“…Figure 12 reveals that electrophilic reactivity is related to positive (blue) areas of ESP, while nucleophilic reactivity is associated with negative (red) regions, And that the electron-richest regions are primarily near conjugated bonds and heteroatoms, which promotes the creation of a chelate on the MS surface by electron transfer from amide and hydroxy groups to the “d” orbital of the Fe atom and the chemical adsorption of CMEA, which results in the development of a covalent coordination bond [ 65 , 66 ].…”
Section: Resultsmentioning
confidence: 99%
“…A DFT-based theoretical investigation is performed to explore the relation between corrosion inhibition and molecular structures at the atomic scale. This is because it is difficult to gain a deep understanding of corrosion inhibition at the atomic scale by experimental investigations. , Various submethods of DFT-based theoretical studies were utilized to access the theoretical basis of corrosion inhibition by selected organic compounds. , The GAMESS-US with the 6-21G basis sets, density functional theory (DFT), and B3LYP methods were chosen to perform the DFT-based theoretical investigations of pistiphloroglucinyl, pistaciaphenyl ether, and naringenin corrosion inhibitors. wxMacMolPlt and Avogadro were employed for analysis and visualization.…”
Section: Experimental Studiesmentioning
confidence: 99%
“…The values in chemical softness ( 𝜎 𝐷𝐹𝑇 ) for this inhibitor are considerably higher than those in chemical hardness (η 𝐷𝐹𝑇 ), indicating that the selected compound is a softer molecule. Good chemically soft molecules possess low charge states and exhibit strong polarizability [34][35][36][37] .…”
Section: Quantum Chemical Analysismentioning
confidence: 99%