Adsorption of ibuprofen using waste coffee derived carbon architecture: Experimental, kinetic modeling, statistical and bio-inspired optimization.

Pharmaceuticals in water are a growing environmental concern, as they can harm aquatic life and human health. To address this issue, an adsorbent made from coffee waste that effectively removes ibuprofen (a common pharmaceutical pollutant) from wastewater was developed. The experimental adsorption phase was planned using a Design of Experiments approach with Box-Behnken strategy. The relation between the ibuprofen removal efficiency and various independent variables, including adsorbent weight (0.01-0.1 g) and pH (3-9), was evaluated via a regression model with 3-level and 4-factors using the Response surface methodology (RSM) . The optimal ibuprofen removal was achieved after 15 min using 0.1 g adsorbent at 32.4 °C and pH = 6.9. Moreover, the process was optimized using two powerful bio-inspired metaheuristics (Bacterial Foraging Optimization and Virus Optimization Algorithm). The adsorption kinetics, equilibrium, and thermodynamics of ibuprofen onto waste coffee-derived activated carbon were modeled at the identified optimal conditions. The Langmuir and Freundlich adsorption isotherms were implemented to investigate adsorption equilibrium, and thermodynamic parameters were also calculated. According to the Langmuir isotherm model, the adsorbent's maximum adsorption capacity was 350.00 mg g-1 at 35 °C. The findings revealed that the ibuprofen adsorption was well-matched with the Freundlich isotherm model, indicating multilayer adsorption on heterogeneous sites. The computed positive enthalpy value showed the endothermic nature of ibuprofen adsorption at the adsorbate interface.

Developing a simple box-behnken experimental design on the removal of doxorubicin anticancer drug using Fe3O4/graphene nanoribbons adsorbent.

This paper aims to develop a Box-Behnken experimental design system to optimize the removal process of doxorubicin anticancer drugs. For this goal, Fe3O4/graphene nanoribbons was selected as adsorbent and removal of doxorubicin anticancer drug optimized using Box-Behnken experimental design with a selection of four effective factors. A three-level, four-factor Box-Behnken experimental design was used to assess the relationship between removal percentage as a dependent variable with adsorption weight (0.0015-0.01 mg), pH (3-9), temperature (15-45 °C) and time (1-15 min) as independent variables. Optimized condition by Behnken experimental design (pH = 7.36; time = 15 min; adsorbent weight = 0.01 mg and temperature = 29.26 °C) improved removal of doxorubicin anticancer drug about 99.2% in aqueous solution. The dynamic behavior, adsorption properties and mechanism of doxorubicin molecule on Fe3O4/graphene nanoribbon were investigated based on ab initio molecular dynamics (AIMD) simulations and density functional theory calculations with dispersion corrections. A closer inspection of the adsorption configurations and binding energies revealed that π-π interactions were the driving force when the doxorubicin molecule adsorbed on Fe3O4/graphene nanoribbon. The observed negative adsorption energy signifies a favourable and exothermic adsorption process of the various adsorbate-substrate systems. Besides, AIMD and phonon dispersion calculations confirm the dynamic stability of Fe3O4/graphene nanoribbon.