Bouoidina, A. published the artcileAnisole derivatives as sustainable-green inhibitors for mild steel corrosion in 1 M HCl: DFT and molecular dynamic simulations approach, Related Products of isoquinoline, the main research area is anisole hydrochloric acid steel corrosion DFT mol dynamic simulation.
The search for new corrosion inhibitors, inexpensive and environmentally friendly as alternatives to various harmful synthetic compounds is one of the main challenges facing the chem. industry today. Hence, this work focused on the inhibition of corrosion of steel in 1 M HCl acid medium by three anisole derivatives, simples, economics, effectiveness, effectives and they have rarely been studied. The study of this series based on coupling theor. (DFT / Mol. Dynamic simulations) and electrochem. techniques revealed a very high inhibitory efficiency which exceeds 80% at an optimal concentration of 103 M for all inhibitors, with the compound P1 is the most effective. All these inhibitors obey the Langmuir isotherm and exhibit a mixed character by blocking, on the one hand, the reaction of the dissolution of anodic steel, and on the other hand, the reaction of cathodic reduction of hydrogen. Their adsorption takes place according to a charge transfer process by forming a protective film on the metal surface. A theor. calculation of the global and local quantum descriptors and mol. dynamic simulations has been undertaken to explain the mechanism of inhibition.
Journal of Molecular Liquids published new progress about Adsorption. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Related Products of isoquinoline.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem