الفهرس | Only 14 pages are availabe for public view |
Abstract The present study is concerned with studying the effect of structural parameters of some inhibitors on their inhibition efficiencies of corrosion for metal surfaces and investigates the ability of quantum chemical calculations to select better corrosion inhibitors. Also, the mechanisms of inhibition of corrosion are studied and then simulate the adsorption mode of the inhibitor on the metal surface. Molecular orbital calculations are performed to discuss the relations between the quantum chemical parameters which characterize the inhibition property of inhibitors and the experimental inhibition efficiency |