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[Display omitted] • The removal of Hg from environmental water by advanced oxidation processes. • The removal of Hg from environmental water by adsorption. • Thermodynamic molecular modelling and simulation of Hg adsorption. • Hg adsorption mechanism, kinetics and column adsorption studies. • Regeneration and reusability studies. The review discusses the removal of mercury (Hg) from wastewater by advanced oxidation processes (AOPs) and adsorption. The Hg adsorption in batch and column method was described, and the mechanism was explained, followed by the equilibrium and kinetic modelling. Furthermore, thermodynamic molecular modelling and simulation of Hg adsorption were discussed. The results showed that the removal of Hg from the aqueous solution by AOPs was successfully applied. Some of the future perspectives include enhancing the efficiency of the AOPs for the removal of Hg. The efficiency of available technologies for the removal of heavy metals in general and Hg in particular, depend on three criteria, namely efficacy, cost, suitability, and conditions of application. Langmuir and Freundlich isotherm models are best-fit and also pseudo second order kinetic model. [ABSTRACT FROM AUTHOR]

Furfural contamination of water is a serious problem in the world. The review article highlights on furfural ecotoxicology and the associated molecular mechanisms involved in its toxicity, efficacy of novel adsorbents for the removal of furfural from polluted water, adsorption capacities of adsorbents under different conditions, such as surface area, concentration, adsorption capacity, pH, time, temperature, applicable isotherm models, characterization and percentage removal of furfural. It was showed from the review that CTAB-bentonite is the best adsorbents for the removal of furfural (q max = 538 mg/g) from aqueous media.A wide range of values for the thermodynamic parameters (both negative and positive) were reported for furfural across different studies. Furfural uptake best-fit both for the Langmuir and Freundlich isotherm models as well as a pseudo second order kinetic model. Additionally, the review also highlighted the molecular modelling and simulations of furfural adsorptions and detail about its future prospects. Among the different treatment options, advanced oxidation processes (AOPs) are likely promising for efficient degradation of furfural in water and wastewater. [Display omitted] • Ecotoxicology effects of furfural. • Adsorption and Advanced oxidation processes (AOPs) removal of furfural from industrial effluents. • Empirical results on equilibrium isotherms, kinetics and thermodynamics. • Molecular modelling and simulation of furfural adsorption. [ABSTRACT FROM AUTHOR]

[Display omitted] • Aniline as a toxic aromatic uptake from industrial effluents was reviewed. • The different empirical findings on the equilibrium isotherms, kinetics and thermodynamics. • Molecular modelling and simulation of aniline adsorption. • Azo-linked porous organic polymer is the best adsorbents for the removal of aniline. • The best fit kinetic model for aniline adsorption is the pseudo-second-order model. 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 (q max) 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. [ABSTRACT FROM AUTHOR]