Facile engineering of mesoporous silica for the effective removal of anionic dyes from wastewater: Insights from DFT and experimental studies.

The discharge of dye effluents from the textile industries has become a major environmental issue due to its potential to impart serious harm to human health and aquatic life. Mesoporous silica due to its high chemical stability, large surface area, tunable morphologies, large pore volume and pore size and cost-effectiveness is commonly used to remove such dyes before recycling of the wastewater for agricultural, domestic, and industrial applications. However, the low colloidal stability, the fast aggregation of the silica particles and the slow etching of the silica surface often results in the fast deactivation of the adsorbents and limits their long-term applications. In this study, we report the functionalization of mesoporous silica (SBA-15) with ZnO nanoparticles for the effective removal of anionic dyes. The Zn-silica exhibited highly positive surface with a dipole moment of 172 Debye and high charge transfer efficacy with an energy bandgap (ΔE) of 3.35 eV as revealed by quantum chemical DFT simulations. It achieved excellent removal of Alizarin red dye reaching a removal efficiency of 99.99 % and an adsorption capacity of 50 mg/g. In the presence of heavy metal ions commonly present in wastewater (Cd2+, Co2+, Zn2+, Ni2+, Cu2+ and Hg2+), the Zn-silica maintain excellent stability, high selectivity, and reusability within 5 cycles without a significant decline in efficiency. This study thus presents an effective way of wastewater purification on cost-effective adsorbents for meeting the water scarcity demands.

Highly Permeable Sulfonated Polydopamine Integrated MXene Membranes for Efficient Surfactant-Stabilized Oil-in-Water Separation.

MXene is an incredibly promising two-dimensional material with immense potential to serve as a high-performing separating or barrier layer to develop advanced membranes. Despite the significant progress made in MXene membranes, two major challenges still exist: (i) effectively stacking MXene nanosheets into defect-free membranes and (ii) the high fouling tendency of MXene-based membranes. To address these issues, we employed sulfonated polydopamine (SPD), which simultaneously serves as a binding agent to promote the compact assembling of Ti3C2Tx MXenes (MX) nanosheets and improves the antifouling properties of the resulting sulfonated polydopamine-functionalized MX (SPDMX) membranes. The SPDMX membrane was tested for challenging surfactant-stabilized oil-in-water separation with an impressive efficiency of 98%. Moreover, an ultrahigh permeability of 1620 LMH/bar was also achieved. The sulfonation of PD helps in improving the antifouling characteristics of SPDMX by developing a strong hydration layer and enhancing the oleophobicity of the membrane. The underwater SPDMX membrane appeared superoleophobic with an oil contact angle of 153°, whereas the ceramic membrane exhibited an oil contact angle of 137°. The SPDMX membranes showed an improved flux recovery (31%) compared to the nonsulfonated counterpart. This work highlights the appropriate functionalization of MXene as a promising approach to developing MXene membranes with high permeation flux and better antifouling characteristics for oily wastewater treatment.