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Quantum chemical and molecular dynamic simulation studies for the identification of the extracted cinnamon essential oil constituent responsible for copper corrosion …
The influence of the extracted cinnamon essential oil (CiO) on the copper corrosion
resistance in acidified 3.0 wt% NaCl (pH= 2) medium was investigated by using …
resistance in acidified 3.0 wt% NaCl (pH= 2) medium was investigated by using …
Molecular modeling applied to corrosion inhibition: a critical review
In the last few years, organic corrosion inhibitors have been used as a green alternative to
toxic inorganic compounds to prevent corrosion in materials. Nonetheless, the fundamental …
toxic inorganic compounds to prevent corrosion in materials. Nonetheless, the fundamental …
Cabbage extract as an eco-friendly corrosion inhibitor for X70 steel in hydrochloric acid medium
X Sun, Y Qiang, B Hou, H Zhu, H Tian - Journal of Molecular Liquids, 2022 - Elsevier
This work explored the feasibility of cabbage extract (CAE) as an environmentally friendly
corrosion inhibitor to inhibit the corrosion of X70 steel in 1 M hydrochloric acid solution …
corrosion inhibitor to inhibit the corrosion of X70 steel in 1 M hydrochloric acid solution …
Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and …
K Chkirate, K Azgaou, H Elmsellem… - Journal of Molecular …, 2021 - Elsevier
The bi-heterocyclic system, namely 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole (MPMB)
has been synthesized and characterized by 1 H and 13 C NMR methods. Its inhibitory …
has been synthesized and characterized by 1 H and 13 C NMR methods. Its inhibitory …
New chlorophenyl-imidazole derivative as a novel corrosion inhibitor in the gas and oil industry
We report herein the synthesis of (E)-3-[2-(4-chlorophenyl) imidazo [1, 2-a] pyridin-3-yl]-1-
mesitylprop-2-en-1-one (IMCH) as a new chlorophenyl-imidazole derivative that serves as …
mesitylprop-2-en-1-one (IMCH) as a new chlorophenyl-imidazole derivative that serves as …
The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: experimental and …
Mercaptobenzimidazoles are an important class of biologically active compounds and one
of the most frequently encountered heterocycles in industrial and medicinal chemistry …
of the most frequently encountered heterocycles in industrial and medicinal chemistry …
Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based …
This work focuses on the stability, reactivity and electronic interionic interactions of methyl-
substituted imidazolium (MMMIM) based ionic liquids (ILs); 1, 2, 4-trimethylimidazolium …
substituted imidazolium (MMMIM) based ionic liquids (ILs); 1, 2, 4-trimethylimidazolium …
Corrosion inhibition of SS 316L by organic compounds: Experimental, molecular dynamics, and conceptualization of molecules–surface bonding in H2SO4 solution
The corrosion of austenitic stainless steel 316L in 1.0 M sulfuric acid must be investigated
and scrutinised using five benzoic acid derivatives [C1 (Benzoic acid). This research was …
and scrutinised using five benzoic acid derivatives [C1 (Benzoic acid). This research was …
DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu (111) surface in acidic …
Five novel pyrazolylnucleosides have been evaluated theoretically for their corrosion
inhibition efficiency on the Cu (111) surface in acidic media. DFT calculations were carried …
inhibition efficiency on the Cu (111) surface in acidic media. DFT calculations were carried …
Potential application of Ginkgo biloba extract as a green corrosion inhibitor for carbon steel reinforcement in chloride-polluted simulated concrete pore solution
The present work describes the development of a green and sustainable corrosion inhibitor
using the extract of Ginkgo biloba fruit (GBFE). The screening of the inhibitory performance …
using the extract of Ginkgo biloba fruit (GBFE). The screening of the inhibitory performance …