Abstract
This study describes the thermodynamic assessment and steric interpretation of the 4-nitrophenol (4-NP) and 4-chlorophenol (4-CP) adsorption on polymeric ionic liquids (PILs) using advanced statistical physics model. A monolayer model with a single energy level was employed to elucidate the adsorption mechanisms of these phenolic compounds. The results showed that the orientation of 4-NP and 4-CP on the surface of this adsorbent was a combination of parallel and non-parallel configurations at the tested adsorption temperatures. The values of the adsorption capacities at saturation were 484.7 and 406.7 mg/g for4-NP and 4-CP, respectively. The modelling results indicated that more active sites from PILs surface were involved in the removal of 4-nitrophenol than those required for the 4-chlorophenol adsorption. The calculation of adsorption energies confirmed that the adsorption of 4-NP and 4-CP on PILs was exothermic and driven by physical forces involving hydrogen bonds and van der Waals forces. Three thermodynamic functions were analyzed to complete the macroscopic analysis of the adsorption mechanism for these relevant phenolic contaminants.
Published Version
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