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 …
toxic inorganic compounds to prevent corrosion in materials. Nonetheless, the fundamental …
Materials science: Share corrosion data
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[HTML][HTML] Molecular modeling of organic corrosion inhibitors: Calculations, pitfalls, and conceptualization of molecule–surface bonding
A Kokalj - Corrosion Science, 2021 - Elsevier
Molecular modeling of corrosion inhibitors has gained momentum in the last decade. This
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
paper describes various approaches, starting with the so-called MEPTIC (Molecular …
Integrating experiments, DFT and characterization for comprehensive corrosion inhibition studies–a case for cinnamaldehyde as an excellent green inhibitor for steels …
We have investigated the corrosion inhibition mechanisms of TCA for steel in 1 M HCl.
Gravimetric, electrochemical and AFM studies confirm TCA's high inhibition efficiencies …
Gravimetric, electrochemical and AFM studies confirm TCA's high inhibition efficiencies …
Corrosion protection performance of Laurhydrazide N′-propan-3-one (LHP) adsorbed on zinc surface: A DFT-MD simulation investigation
Utilizing organic inhibitors have been found an effective approach toward corrosion
protection of metals and alloys. The corrosion protection performance of Laurhydrazide N …
protection of metals and alloys. The corrosion protection performance of Laurhydrazide N …
The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding
Bonding of five imidazole type molecules—imidazole, 1-methyl-imidazole, benzimidazole, 2-
mercapto-1-methyl-imidazole, and 2-mercaptobenzimidazole—with copper surfaces and …
mercapto-1-methyl-imidazole, and 2-mercaptobenzimidazole—with copper surfaces and …
How relevant is the adsorption bonding of imidazoles and triazoles for their corrosion inhibition of copper?
Abstract Imidazole, 1, 2, 4-triazole and their 1-methyl derivatives were evaluated as copper
corrosion inhibitors in NaCl solution by corrosion experiments and their bonding to Cu (111) …
corrosion inhibitors in NaCl solution by corrosion experiments and their bonding to Cu (111) …
Anticorrosive properties of Spiramycin for aluminum in acidic medium
TA Alkarim, KF Al-Azawi, RA Anaee - International Journal of Corrosion …, 2021 - elibrary.ru
Aluminum corrosion is a challenge in manufacture processes where this metal and its alloys
are exposed to acid solutions. In the presence of a corrosion inhibitor, the damage to the …
are exposed to acid solutions. In the presence of a corrosion inhibitor, the damage to the …
Corrosion inhibition of copper in aqueous chloride solution by 1 H-1, 2, 3-triazole and 1, 2, 4-triazole and their combinations: electrochemical, Raman and theoretical …
Triazoles are well-known organic corrosion inhibitors of copper. 1H-1, 2, 3-Triazole and 1, 2,
4-triazole, two very simple molecules with the only difference being the positions of the …
4-triazole, two very simple molecules with the only difference being the positions of the …
Electrochemical, morphological and theoretical studies of an oxadiazole derivative as an anti-corrosive agent for kerosene reservoirs in Iraqi refineries
Abstract An oxadiazole derivative 4-[3-(4-methylphenyl)-1, 2, 4-oxadiazol-5-yl]-phenol
(MOP) has been investigated as a protector against corrosion of mild steel tanks in Iraqi …
(MOP) has been investigated as a protector against corrosion of mild steel tanks in Iraqi …