In recent years, the combination of experimental and theoretical study to explain adsorbate/adsorbent interactions has attracted the attention of researchers. In this context, this work aims to study the adsorption of two cationic dyes, namely methylene blue (MB) and crystal violet (CV), on a green adsorbent Montmorillonite@activated carbon (Mt@AC) composite and to explain the adsorption behavior of each dye by the molecular dynamics (MD) simulation method. The eco-friendly nanocomposite Mt@AC is synthesized and characterized by the analysis methods: XRD, FTIR, BET, TGA/DTA, SEM-EDS, EDS-mapping and zeta potential. The experimental results of adsorption equilibrium show that the adsorption of the two dyes is well suited to the Langmuir adsorption model. The maximum adsorption capacity of the two dyes reaches 801.7 mg g⁻¹ for methylene blue and 1110.8 mg g⁻¹ for crystal violet. The experimental kinetics data fit well with a pseudo-first order kinetic model for the two dyes with coefficient of determination R² close to unity, non-linear chi-square χ² close to zero and lower Root Mean Square Error RMSE (R² → 1 and χ² → 0, RMSE lower). Molecular dynamic simulations are run to gain insights on the adsorption process. According to the RDF analysis and interaction energy calculations, the obtained results reveal a better affinity of the CV molecule with both the AC sheet and montmorillonite framework as compared with MB. This finding suggests that CV is adsorbed to a larger extent onto the nanocomposite material which is in good agreement with the adsorption isothermal experiment observations.

To understand the interactions of microwaves with dielectric materials and their conversion to thermal energy in aqueous systems, the effect of ionic concentration has been studied. Aqueous solutions of inorganic ions were exposed to microwaves (2.45GHz) in a modified oven under identical conditions. Difference in solution temperatures with reference to pure (deionized) water was monitored in each case. A significant decrease in the temperature was observed with an increase in the quantity of ions. Experiments were repeated with several inorganic ions varying in size and charge. The information can be helpful in understanding the role of ions during dielectric heating

Persistent organic pollutants and dyes cause major problems during ecofriendly wastewater treatment. To overcome this huge problem, several techniques have been considered and in practice for the safe disposal of organic pollutants in recent years; some of them are discussed and compared herein. This review focuses on new trends for wastewater treatment and compares them with certain other techniques alongside their pros and cons; adsorption is considered the safest among them. Adsorbents derived from agri-wastes have good capacity for the removal of these contaminants owing to their great sorption capacity, high reusability, easy operation, etc. Sometimes they need some modifications for the removal of dyes, which are also discussed in this review. This capacity of adsorbents to chelate dye molecules can be affected by factors, such as pH, the concentration of dyes and adsorbents, and temperature of the system. pH has direct influence on the ionization potential and charge on the outer surface of adsorbents. The findings on isotherms, kinetics, and desorption of plant waste-based biomaterials that are safe for the ecosystem and user friendly and are used for hazardous contaminant removal from water are summarized in this review. Finally, conclusions and future perspectives are presented, and some other materials, such as CNTs and MOFs, are also discussed as efficient adsorbents for eliminating dyes from wastewater. Finally, it is predicted that the adsorption of dyes is a more feasible solution for this dye pollution problem.

Higher concentrations of ceramic fillers induce brittleness in the ceramic/polymer hybrids which restrict their applications to limited fields especially when such hybrids are prepared for their use as dielectrics. We have synthesized and characterized different BaTiO₃-polypyrrole (PPy) composites by changing the concentration of BaTiO₃ from 1% by weight of PPy taken to 5 wt % to explore its effect on the dielectric parameters of the final product and found that the BaTiO₃-polypyrrole composite with weight ratio of 0.05:1 exhibited highest dielectric constant, lowest dielectric loss and thermally most stable. All the composites were prepared using in-situ polymerization of pyrrole in an aqueous dispersion of low content of BaTiO₃ in the presence of small amount of Hydrochloric acid. These composites were characterized for their microstructure and crystallinity by X-ray diffractometer (XRD), Fourier transform infrared (FT-IR) spectroscopy and scanning electron microscopy (SEM) while thermal stability by thermo gravimetric (TGA) analysis. An impedance analyser (LCR meter) was utilized to investigate the dielectric parameters. FT-IR data confirmed the presence of the two phases and their interaction, inferred from the shifting of normal PPy peaks. The data obtained from XRD confirmed the presence of crystallites of 2.8 to 5 nm with dominant crystallinity of the filler, TGA analysis (25 to 600 °C) confirmed the higher thermal stability induced on successive addition of the filler into the prepared composites as compared to that of pure PPy in a wide temperature range which is unusual for such a low % age addition of the filler. The SEM analysis together with XRD results reveal that the successive introduction of BaTiO₃ particles produced crystallites of 2 to 5 nm size which bonded together and changed the hemispherical shaped larger grains of the matrix to regular shaped smaller grains. The dielectric constant of the composites was enhanced with filler contents from 178 to 522 at 1 MHz for 1 wt % and 5 wt % BaTiO₃ respectively. It was concluded that the introduction of BaTiO₃ into the polymer matrix with this new procedure has greatly affected the polymerization process, thermal stability, morphology and dielectric properties of the host matrix and has resulted in a novel series of the composites which may have broad applications.