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 …

Inhibition effect of N-propargyl saccharin as corrosion inhibitor of C38 steel in 1 M HCl, experimental and theoretical study

BO Abdelwedoud, M Damej, K Tassaoui… - Journal of Molecular …, 2022 - Elsevier
The corrosion inhibition method is the technique most used to reduce the cost of corrosion in
the industrial field, especially in the acidic environment, in which the organic inhibitor has …

Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches

O Dagdag, A Berisha, V Mehmeti, R Haldhar… - Journal of Molecular …, 2022 - Elsevier
In this work, a formulation based on epoxy coating composed of DGEBA cured with
polyaminoamide has been used as anti-corrosive material for aluminum alloys (2024-T3 …

[PDF][PDF] Contribution to the corrosion inhibition of C38 steel in 1 M hydrochloric acid medium by a new epoxy resin PGEPPP

A Molhi, R Hsissou, M Damej, A Berisha… - International Journal of …, 2021 - academia.edu
The objective of this work is to synthesize and evaluate the performance of pentaglycidyl
ether pentaphenoxyphosphorus (PGEPPP) as a corrosion inhibitor of C38 steel in a 1 M …

Anti-corrosion behavior of two N2O4 Schiff-base ligands: experimental and theoretical studies

H Jafari, E Ameri, M Rezaeivala, A Berisha… - Journal of Physics and …, 2022 - Elsevier
In this study, two novel N 2 O 4 Schiff-base Ligands as green corrosion inhibitors named 2,
2'-((1Z, 1′ Z)-(((1, 2-phenylenebis (oxy)) bis (2, 1-phenylene)) bis (methanylylidene)) bis …

Insight into the corrosion inhibition of new bis-quinolin-8-ols derivatives as highly efficient inhibitors for C35E steel in 0.5 M H2SO4

M El Faydy, H About, I Warad, Y Kerroum… - Journal of Molecular …, 2021 - Elsevier
Abstract Both new bis-quinolin-8-ols, namely 5, 5′((methylenebis (oxy)) bis (methylene))
bis (quinolin-8-ol)(MBQ), 5, 5′-((propane-1, 3-diylbis (oxy)) bis (methylene)) bis (quinolin-8 …

[PDF][PDF] Performance of two epoxy compounds against corrosion of C38 steel in 1 M HCl: Electrochemical, thermodynamic and theoretical assessment

A Molhi, R Hsissou, M Damej, A Berisha… - International Journal of …, 2021 - academia.edu
In this work, two epoxy compounds, namely: diglycidyl ether ethylene (DGEE) and diglycidyl
ether benzene (DGEB) were evaluated as corrosion inhibitors for C38 steel in 1 M HCl …

Monte Carlo simulation, molecular dynamic simulation, quantum chemical calculation and anti-corrosive behaviour of Citrus limetta pulp waste extract for stainless …

N Bhardwaj, P Sharma, A Berisha, V Mehmeti… - Materials Chemistry and …, 2022 - Elsevier
Corrosion occurs as a result of acid-based cleaning process in petroleum industry. Some of
the procedures require 15% hydrochloric acid (HCl) solution thus speeding the corrosion …

Experimental investigation and theoretical modeling of copper corrosion inhibition by Urginea maritima essential oil

K Mzioud, A Habsaoui, S Rached, E Ech-chihbi… - Materials Today …, 2024 - Elsevier
Corrosion inhibition is essential for preserving metallic materials in various industrial
applications. This study aims to assess the inhibition performance of Urginea maritima …

Which is better for Lindane pesticide adsorption, graphene or graphene oxide? An experimental and DFT study

V Mehmeti, J Halili, A Berisha - Journal of Molecular Liquids, 2022 - Elsevier
Graphene and graphene oxide are fascinating materials with a wide range of uses ranging
from adsorption to photovoltaics. Graphene oxide is synthesized in this work by reducing …