Electronic/atomic level fundamental theoretical evaluations combined with electrochemical/surface examinations of Tamarindus indiaca aqueous extract as a new green inhibitor for mild steel in acidic solution (HCl 1 M)

Conclusions derived from different isotherms demonstrated that following Langmuir isotherm a mono inhibitive layer of Tamarindus indiaca extract molecules covered the iron substance. Molecular simulations strongly affirmed the preference of Tamarindus indiaca extract molecules for adsorption on the MS substrate. The DFT explorations highlighted that the aromatic rings and oxygen heteroatoms behaved as influential local sites for molecular adsorption.
Source: Journal of the Taiwan Institute of Chemical Engineers - Category: Chemistry Source Type: research