The use of quantum chemical methods in corrosion inhibitor studies
G Gece - Corrosion science, 2008 - Elsevier
Quantum chemical methods are particularly significant in the study of electrochemistry and
provide researchers with a relatively quick way of studying the structure and behaviour of …
provide researchers with a relatively quick way of studying the structure and behaviour of …
[HTML][HTML] Advances in synthetic approach to and antifungal activity of triazoles
K Shalini, N Kumar, S Drabu… - Beilstein journal of …, 2011 - beilstein-journals.org
Several five membered ring systems, eg, triazole, oxadiazole dithiazole and thiadiazole with
three heteroatoms at symmetrical or asymmetrical positions have been studied because of …
three heteroatoms at symmetrical or asymmetrical positions have been studied because of …
[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 …
Experimental and theoretical (DFT&MC) studies for the adsorption of the synthesized Gemini cationic surfactant based on hydrazide moiety as X-65 steel acid …
We synthesized new cationic Gemini surfactant (GI-surfactant) namely; N, N′-((ethane-1, 2-
diylbis (oxy)) bis (2-oxoethane-2, 1-diyl)) bis (N, N-dimethyl-4-((E)-(2-((E)-octadec-9-enoyl) …
diylbis (oxy)) bis (2-oxoethane-2, 1-diyl)) bis (N, N-dimethyl-4-((E)-(2-((E)-octadec-9-enoyl) …
Empirical and quantum chemical studies on the corrosion inhibition performance of some novel synthesized cationic gemini surfactants on carbon steel pipelines in …
Three novel cationic gemini surfactants were synthesized and their effect on the corrosion of
carbon steel in 15% HCl solution was investigated using weight loss, electrochemical …
carbon steel in 15% HCl solution was investigated using weight loss, electrochemical …
Experimental and theoretical investigation of organic compounds as inhibitors for mild steel corrosion in sulfuric acid medium
MJ Bahrami, SMA Hosseini, P Pilvar - Corrosion science, 2010 - Elsevier
Three synthesized organic compounds were tested as corrosion inhibitors for mild steel in
sulfuric acid medium by potentiostatic polarization, FTIR spectroscopy and SEM techniques …
sulfuric acid medium by potentiostatic polarization, FTIR spectroscopy and SEM techniques …
Quantum chemical study of some cyclic nitrogen compounds as corrosion inhibitors of steel in NaCl media
G Gece, S Bilgiç - Corrosion Science, 2009 - Elsevier
Corrosion inhibition efficiencies of 3-amino-1, 2, 4-triazole (3-ATA), 2-amino-1, 3, 4-
thiadiazole (2-ATDA), 5-(p-tolyl)-1, 3, 4-triazole (TTA), 3-amino-5-methylmercapto-1, 2, 4 …
thiadiazole (2-ATDA), 5-(p-tolyl)-1, 3, 4-triazole (TTA), 3-amino-5-methylmercapto-1, 2, 4 …
[HTML][HTML] Corrosion inhibition effect of 2-N-phenylamino-5-(3-phenyl-3-oxo-1-propyl)-1, 3, 4-oxadiazole on mild steel in 1 M hydrochloric acid medium: Insight from …
A Alamiery - Materials Science for Energy Technologies, 2021 - Elsevier
Mild steel corrosion caused by exposure to the hydrochloric acid solution is a major problem
affecting a wide range of industries. Iraq is an oil-producing country, and erosion is …
affecting a wide range of industries. Iraq is an oil-producing country, and erosion is …
Computational and experimental elucidation of the boosted stability and antibacterial activity of ZIF-67 upon optimized encapsulation with polyoxometalates
Water microbial purification is one of the hottest topics that threats human morbidity and
mortality. It is indispensable to purify water using antimicrobial agents combined with several …
mortality. It is indispensable to purify water using antimicrobial agents combined with several …
The synergistic inhibitive effect and some quantum chemical parameters of 2, 3-diaminonaphthalene and iodide ions on the hydrochloric acid corrosion of aluminium
The effect of iodide ions on the inhibitive performance of 2, 3-diaminonaphthalene (2, 3-
DAN) in 1M HCl for aluminium corrosion has been studied using hydrogen evolution …
DAN) in 1M HCl for aluminium corrosion has been studied using hydrogen evolution …