Density Functional Theory of Mild Steel Corrosion in Acidic Media Using Dyes as Inhibitor: Adsorption onto Fe(110) from Gas Phase

Table 3

Binding energy, interaction energy, and total energy (minimum) for the molecular dynamic simulations.

	𝐸Bind (eV)	𝐸Interaction (eV)	Total energy (kcal/mol)
IB	121.37	−121.37	−49.14
MB	59.62	−59.62	−168.3
CV	39.97	−39.97	−86.44