Abstract

This review aims to report the efficiency of the adsorption of industrial pollutants, aniline, from wastewater. It was observed from the review that an Azo-linked porous organic polymer (AZO-POP-1) is the best adsorbents for the removal of aniline from aqueous media, with a capacity adsorption (qmax) of 1059 mg/g. In terms of factors that affect the efficiency of adsorbents, temperature seems to be the most influential. Aniline uptake best-fit both the Langmuir and Freundlich isotherm models as well as a pseudo second order kinetic model. Different potential adsorbents have been examined through simulations, usually using density functional theory (DFT) or ab-initio method. Most of the time they are simulated in the gas phase, but for a realistic adsorption model, they should be simulated in the solvent phase. Although some studies have been reported on molecular modeling of aniline adsorption using a different range of computational approaches, there are still a lot of issues to be addressed. These issues include the solvent effects which are not properly modeled, the calculation of adsorption energy which is not taking the environment into account, and possibly the temperature effects. (C) 2021 Elsevier B.V. All rights reserved.