Table 4 Adsorption energy (kcal/mol), rigid adsorption energy, deformation energy, and substrate-adsorbate configurations (dEads/dNi) for the adsorption configuration of MB dye on the AC/NZ nanocomposite surface.

From: Activated carbon derived from sugarcane and modified with natural zeolite for efficient adsorption of methylene blue dye: experimentally and theoretically approaches

Adsorption energy

Rigid adsorption energy

Deformation energy

DR : dEad/dNi

− 70.55

− 20.16

− 70.02

− 700.12

Back to article page