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 …
Synthesis, characterization, and corrosion inhibition activity of new imidazo [1.2-a] pyridine chalcones
In this work, two new Imidazo [1.2-a] pyridine chalcones (IMZs) namely, 1-(3-methylpyrazin-2-
yl)-3-(2-phenylimidazo [1, 2-a] pyridin-3-yl) prop-2-en-1-one (IMZ1) and 3-(2-(4 …
yl)-3-(2-phenylimidazo [1, 2-a] pyridin-3-yl) prop-2-en-1-one (IMZ1) and 3-(2-(4 …
Heterocyclic amino acids-based green and sustainable corrosion inhibitors: Adsorption, bonding and corrosion control
The growing interest in green chemistry and sustainable development has led to immense
research on biopolymers, plant extracts, polysaccharides, and other synthetic and natural …
research on biopolymers, plant extracts, polysaccharides, and other synthetic and natural …
Corrosion inhibition of Schiff base and their metal complexes with [Mn (II), Co (II) and Zn (II)]: Experimental and quantum chemical studies
The synthesis, characterization, and examination of anti-corrosion performance of 2-
furaldehyde semicarbazone Schiff base (FSC) complexes of cobalt (II), zinc (II), and …
furaldehyde semicarbazone Schiff base (FSC) complexes of cobalt (II), zinc (II), and …
Assessing cationic dye adsorption mechanisms on MIL-53 (Al) nanostructured MOF materials using quantum chemical and molecular simulations: Toward …
I Salahshoori, MN Jorabchi, S Ghasemi… - Journal of Water …, 2023 - Elsevier
The escalating levels of environmental pollutants, particularly cationic dyes, present a
significant ecological threat. Cationic dyes such as rhodamine B (RB) and methylene blue …
significant ecological threat. Cationic dyes such as rhodamine B (RB) and methylene blue …
Essential oil of Dysphania ambrosioides as a green corrosion inhibitor for mild steel in HCl solution
In this work, an essential oil was extracted from the leaves of Dysphania Ambrosioides (DA)
and tested as an environmentally friendly corrosion inhibitor for mild steel in 1 M HCl …
and tested as an environmentally friendly corrosion inhibitor for mild steel in 1 M HCl …
A combined experimental and modeling approach to elucidate the adsorption mechanism for sustainable water treatment via In2S3-anchored chitosan
A novel Chitosan/Indium sulfide (CS/In2S3) nanocomposite was created by co-precipitating
Chitosan and InCl3 in solution, resulting in In2S3 agglomeration on the Chitosan matrix with …
Chitosan and InCl3 in solution, resulting in In2S3 agglomeration on the Chitosan matrix with …
DFT and microkinetic investigation of oxygen reduction reaction on corrosion inhibition mechanism of iron surface by Syzygium Aromaticum extract
Corrosion of iron is an important and serious problem in materials. So far, many studies
have been carried out to overcome the corrosion of iron. However, first-principle studies at …
have been carried out to overcome the corrosion of iron. However, first-principle studies at …
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 …
Theoretical investigation on corrosion inhibition efficiency of some amino acid compounds
The DFT approach was used to do quantum chemical calculations of amino acids energy,
geometrical shape, and optoelectronic properties. The investigation of the optoelectronic …
geometrical shape, and optoelectronic properties. The investigation of the optoelectronic …