DFT Calculations on Corrosion Inhibition of Aluminum by Some Carbohydrates

We have performed a DFT calculations on glucose, fructose, lactose, maltose and sucrose as corrosion inhibitors of aluminum with complete optimization of geometries using B3LYP/6-31 G level (d, p) to find a relation between the molecular structure and corrosion inhibition. Frontier orbitals and quantum parameters together with calculated thermodynamic function ∆G for adsorption of the inhibitors on aluminum are reported. Glucose and fructose are found to be the most efficient, followed by lactose and maltose. Sucrose shows poor inhibitive effect.