Theoretical Simulation of the Corrosion-inhibition Potentials of Triterpenoids on Aluminium Metal Surface

AM Ayuba, AM Ayuba, AAA Abdullateef - Jordan Journal of Chemistry …, 2022 - jjc.yu.edu.jo
The mechanism of the corrosion-inhibition action of three selected triterpenoid compounds
including α-amyrin, β-amyrin and Lupeol on Al (110) surface was studied using …

Quantum chemical studies and molecular modeling of the effect of coriandrum sativum L. compounds as corrosion inhibitors on aluminum surface

NT Aondofa, AM Ayuba - Applied Journal of Environmental …, 2020 - revues.imist.ma
Corrosion inhibition activity of Coriandrum sativum L. compounds namely: terpinen-4-ol,
anethole and limonene on aluminium (110) surface was investigated by quantum chemical …

A Theoretical Study on Isolated Compounds from the Leaves Extract of Guiera Senegalensis as Aluminium Corrosion Inhibitor

AM Ayuba, M Abubakar - Journal of Science and Technology, 2021 - penerbit.uthm.edu.my
The present work describes using computational methods the corrosion inhibition of
aluminium using three selected chemical constituents (5-methyldihydroflavasperone, 5 …

Quantum chemical calculations and molecular dynamic simulation studies on the corrosion inhibition of aluminium metal by myricetin derivatives

U Umaru, AM Ayuba - Journal of new technology and …, 2020 - platform.almanhal.com
Corrosion inhibition potentials of three myricetin derivatives, myricetin 3-0-alpha
rhamnopyranoside (MAP), myricetin 3-0-beta-D-glucopyranoside (MBT) and 4'-methoxy …

DFT, Monte Carlo and Molecular Dynamics modeling of the Carvacrol, Camphor and Linalool/Al (111) Interaction

F Laihemdi, A Barhoumi, B Lizoul, K Mounich… - Turkish Computational … - dergipark.org.tr
In this work, the interaction of three natural compounds: carvacrol (Inh-1), camphor (Inh-2),
and linalool (Inh-3) on the Al (111) surface have been studied using DFT/B3LYP/6-31G (d …

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 …

Corrosion inhibition abilities of phytochemicals: a combined computational studies

R Haldhar, SC Kim, A Berisha… - Journal of Adhesion …, 2023 - Taylor & Francis
In this present investigation, the anti-corrosion abilities of phytochemicals such as eugenol,
methyl eugenol, and cinnamyl acetate were studied. All the quantum chemical calculations …

Theoretical study of aspartic and glutamic acids as corrosion inhibitors on aluminium metal surface

AM Ayuba, A Uzairu, H Abba… - Moroccan journal of …, 2018 - revues.imist.ma
The present study describes the inhibition of aluminium corrosion using amino acids
including aspartic and glutamic acids through computational studies. Quantum chemical …

[PDF][PDF] Hydroxycarboxylic acids as corrosion inhibitors on aluminium metal: a computational study

AM Ayuba, A Uzairu, H Abba… - Journal of materials …, 2018 - jmaterenvironsci.com
Corrosion inhibition mechanism of three hydroxycarboxylic acids including tartaric, citric and
malic acids on aluminium (1 1 0) surface was investigated by quantum chemical calculation …

Experimental and computational studies of Vitellaria Paradoxa extract as aluminium corrosion inhibitor in acidic and alkaline media

AM Ayuba, MA Auta, NU Shehu - RHAZES: Green and Applied …, 2021 - revues.imist.ma
The adsorptive and inhibitive action of Vitellaria paradoxa (VP) towards general and pitting
corrosion of aluminium (Al) was investigated both theoretically in gas phase and using …