A Theoretical properties of Thiazepine and its derivatives on inhibition of Aluminium Al (110) surface.
F Iorhuna, NA Thomas, SM Lawal - Algerian Journal of Engineering …, 2023 - jetjournal.org
In this work, corrosion inhibition of Aluminium was evaluated theoretically through quantum
functions. The studied molecules thiazepine and its derivatives were optimized and …
functions. The studied molecules thiazepine and its derivatives were optimized and …
2-Phenylpiperazine, N, N'-di-TFA as a corrosion inhibitor: A computational comparative study on the Aluminium and Zinc surface
F Iorhuna, AT Nyijime, AM Ayuba - Moroccan Journal of Chemistry, 2023 - revues.imist.ma
Aluminium and zinc are materials useful in different areas. In construction industries they are
use as container builing materials and part of machines. Though they are susceptible to …
use as container builing materials and part of machines. Though they are susceptible to …
New Theoretical Insights about Anticorrosive Effects and Adsorption Mechanism of Some α-Amino Acids on Al Surface: DFT, MEP, FMO, NBO, QSAR, Fukui Functions …
Six amino acids were studied for their corrosion inhibition properties, taking into account the
experimental results. The computed quantum chemical descriptors gave almost the same …
experimental results. The computed quantum chemical descriptors gave almost the same …
Density functional theory and molecular dynamic simulation studies on the corrosion inhibition of some Thiosemicarbazide derivatives on Aluminum metal
AA Muhammad, TA Nyijime… - Journal of Applied …, 2020 - revues.imist.ma
Aluminum (Al), one of the most comercially used metals is also susceptible to corrosion like
iron and zinc when subjected to corrosive environments, either in the industries or during …
iron and zinc when subjected to corrosive environments, either in the industries or during …
Quantum chemical studies and atomistic simulations of some inhibitors for the corrosion of al surface
MK Awad, MR Mustafa, MM Abouelnga - Protection of Metals and Physical …, 2016 - Springer
Atomistic simulations are becoming increasingly important in the field of corrosion inhibition.
New research and development efforts using computational chemistry in studying the …
New research and development efforts using computational chemistry in studying the …
Theoretical study of aspartic and glutamic acids as corrosion inhibitors on aluminium metal surface
The present study describes the inhibition of aluminium corrosion using amino acids
including aspartic and glutamic acids through computational studies. Quantum chemical …
including aspartic and glutamic acids through computational studies. Quantum chemical …
[HTML][HTML] Theoretical and experimental studies on the corrosion inhibition potentials of some purines for aluminum in 0.1 M HCl
Experimental aspect of the corrosion inhibition potential of adenine (AD), guanine (GU) and,
hypoxanthine (HYP) was carried out using weight loss, potentiodynamic polarization and …
hypoxanthine (HYP) was carried out using weight loss, potentiodynamic polarization and …
Theoretical evaluation of some benzotriazole and phospono derivatives as aluminum corrosion inhibitors: DFT and molecular dynamics simulation approaches
The adsorption and corrosion inhibition properties of some benzotriazole and phospono
derivatives namely, 1-(2-pyrrolecarbonyl)-benzotriazole (PBTA), 1-(2-thienylcarbonyl) …
derivatives namely, 1-(2-pyrrolecarbonyl)-benzotriazole (PBTA), 1-(2-thienylcarbonyl) …
Computational study of anticorrosive effects of some thiazole derivatives against the corrosion of aluminium
UUU Umar - RHAZES: Green and Applied Chemistry, 2020 - revues.imist.ma
Aluminium metal undergoes corrosion when exposed to substantial amount of acid or base,
therefore there is need for the use of effective corrosion inhibitors to control its corrosion rate …
therefore there is need for the use of effective corrosion inhibitors to control its corrosion rate …
Quantum chemical studies on the inhibition of corrosion of copper surface by substituted uracils
The inhibitive effect of some substituted uracils, dithiouracil (DTUr), thiouracil (TUr), uracil
(Ur) and dihydrouracil (DHUr) against the corrosion of neutral copper surface is studied by …
(Ur) and dihydrouracil (DHUr) against the corrosion of neutral copper surface is studied by …