Adsorptive removal of phenol using faujasite-type Y zeolite: Adsorption isotherms, kinetics and grand canonical Monte Carlo simulation studies

Phenol and its derivatives are hazardous pollutants commonly found in industrial wastewaters. Their removal is a high priority for avoiding adverse impacts on the environment. Herein, the removal of phenol from wastewater, used as a model organic contaminant, onto faujasite-type Y zeolite (NaY) was investigated using experimental and theoretical techniques. The surface morphology was studied by scanning electron microscope (SEM). Mineralogical information and the crystal structure of zeolite were determined by X-ray diffraction (XRD). Surface area measurements were obtained by employing the nitrogen adsorption method. The phenol adsorption at different adsorption temperatures and pH was studied through batch experiments. The isotherm analysis results showed that the Langmuir adsorption isotherm model was the most suitable to describe the adsorption of phenol on zeolite NaY. The results indicated that the adsorption kinetic data were followed more closely the Pseudo-second order and intra-particle diffusion models. Grand Canonical Monte Carlo (GCMC) simulations were used to simulate the adsorption isotherm of the phenol in the zeolite at different temperatures. From the simulation study, density distribution profiles, the isosteric heat of adsorption and the sorption energy distribution were investigated. The results are very promising and point to the need for further investigation. (C) 2019 Elsevier B.V. All rights reserved.