Research Article

Using Solvation Free Energy as an Additional Parameter for Corrosion Inhibition Inspection of Organic Compounds in Acid Media: An Evaluation Study

Table. 2

Calculated solvation free energy () and experimentally obtained inhibition efficiency (IE) of 1,2,4-triazole and 1,5-benzodiazepin-2-one inhibitors set.

Inhibitor1,2,4-Triazole1,5-Benzodiazepin-2-one
TRATRDATRDMBDPDBMPBD

(Kcal mol−1)−73.97−70.98−70.97−61.77−57.91−56.47
IE (%)667173889096