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 …
Experimental, DFT and MC simulation analysis of Vicia Sativa weed aerial extract as sustainable and eco-benign corrosion inhibitor for mild steel in acidic …
In the current investigation, the corrosion inhibition efficacy of a weed, Vicia Sativa has been
investigated on the mild steel corrosion in 0.5 M HCl using weight-loss (WL) method …
investigated on the mild steel corrosion in 0.5 M HCl using weight-loss (WL) method …
Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment
Background Corrosion is a pervasive issue in several industries, causing safety hazards and
substantial economic losses. α-aminophosphonate substances have recently garnered …
substantial economic losses. α-aminophosphonate substances have recently garnered …
A machine learning approach for corrosion small datasets
In this work, we developed a QSAR model using the K-Nearest Neighbor (KNN) algorithm to
predict the corrosion inhibition performance of the inhibitor compound. To overcome the …
predict the corrosion inhibition performance of the inhibitor compound. To overcome the …
Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations
Performance of trifunctional epoxy polymer namely triglycidyl ether tribisphenol A of
ethylene (TGETBAE) as corrosion inhibition for carbon steel in 1.0 M HCl solution was …
ethylene (TGETBAE) as corrosion inhibition for carbon steel in 1.0 M HCl solution was …
N–hydroxybenzothioamide derivatives as green and efficient corrosion inhibitors for mild steel: Experimental, DFT and MC simulation approach
In this research work, the thiohydroxamic acid derivatives included N–
hydroxybenzothioamide (THA–H), 4–bromo–N–hydroxybenzothioamide (THA–Br), and 4 …
hydroxybenzothioamide (THA–H), 4–bromo–N–hydroxybenzothioamide (THA–Br), and 4 …
Evaluation of Lavandula mairei extract as green inhibitor for mild steel corrosion in 1 M HCl solution. Experimental and theoretical approach
Corrosion inhibition of mild steel sample in hydrochloric acid solution was examined via
weight loss and electrochemical measurements, Scanning Electron Microscopy (SEM) and …
weight loss and electrochemical measurements, Scanning Electron Microscopy (SEM) and …
Computational, MD simulation, SEM/EDX and experimental studies for understanding adsorption of benzimidazole derivatives as corrosion inhibitors in 1.0 M HCl …
The adsorption and corrosion inhibition performance of two benzimidazole derivatives,
namely: 2-(allylthio)-1H-benzo [d] imidazole (SHA) and bis ((1H-benzo [d] imidazole-2-yl) …
namely: 2-(allylthio)-1H-benzo [d] imidazole (SHA) and bis ((1H-benzo [d] imidazole-2-yl) …
Understanding the synergistic inhibition effect of hydrosol extract derivatives as eco-friendly anti-corrosive for copper alloy: GC–MS Identification, An Electrochemical …
The research on green sources of corrosion inhibitors has gained significant traction in
recent times due to their cost-effectiveness and environmentally friendly nature. In this study …
recent times due to their cost-effectiveness and environmentally friendly nature. In this study …
Assessment of corrosion inhibition performance of origanum compactum extract for mild steel in 1 M HCl: Weight loss, electrochemical, SEM/EDX, XPS, DFT and …
In this study, plant ethanolic extract OCEE (Origanum Compactum Ethanolic Extract), a
promising natural product with a cheap cost, was used as a green and sustainable mild steel …
promising natural product with a cheap cost, was used as a green and sustainable mild steel …