Heteropolysaccharides in sustainable corrosion inhibition: 4E (Energy, Economy, Ecology, and Effectivity) dimensions

R Ganjoo, S Sharma, C Verma, MA Quraishi… - International Journal of …, 2023 - Elsevier
Carbohydrate polymers (polysaccharides) and their derivatives are widely utilized in
sustainable corrosion inhibition (SCI) because of their various fascinating properties …

Quantum chemical and molecular dynamic simulation studies for the identification of the extracted cinnamon essential oil constituent responsible for copper corrosion …

K Dahmani, M Galai, M Ouakki, M Cherkaoui… - Inorganic Chemistry …, 2021 - Elsevier
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 …

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 …

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 …

Electronic structure investigation of the stability, reactivity, NBO analysis, thermodynamics, and the nature of the interactions in methyl-substituted imidazolium-based …

JA Agwupuye, H Louis, TO Unimuke, P David… - Journal of Molecular …, 2021 - Elsevier
This work focuses on the stability, reactivity and electronic interionic interactions of methyl-
substituted imidazolium (MMMIM) based ionic liquids (ILs); 1, 2, 4-trimethylimidazolium …

DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu (111) surface in acidic …

R Oukhrib, Y Abdellaoui, A Berisha, H Abou Oualid… - Scientific reports, 2021 - nature.com
Five novel pyrazolylnucleosides have been evaluated theoretically for their corrosion
inhibition efficiency on the Cu (111) surface in acidic media. DFT calculations were carried …

The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: experimental and …

M Damej, S Kaya, BEL Ibrahimi, HS Lee, A Molhi… - Surfaces and …, 2021 - Elsevier
Mercaptobenzimidazoles are an important class of biologically active compounds and one
of the most frequently encountered heterocycles in industrial and medicinal chemistry …

Molecular modeling applied to corrosion inhibition: a critical review

JM Castillo-Robles, E de Freitas Martins… - npj Materials …, 2024 - nature.com
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 …

Corrosion inhibition of SS 316L by organic compounds: Experimental, molecular dynamics, and conceptualization of molecules–surface bonding in H2SO4 solution

M Alahiane, R Oukhrib, YA Albrimi, H Abou Oualid… - Applied Surface …, 2023 - Elsevier
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 …

[HTML][HTML] New hybrid adsorbent based on APTES functionalized zeolite W for lead and cadmium ions removal: experimental and theoretical studies

Y Abdellaoui, B El Ibrahimi, M Ahrouch… - Chemical Engineering …, 2024 - Elsevier
Water pollution remains a primary worldwide concern, requiring various treatment
technologies for efficient and effective remediation. In recent years, zeolites have gained …