A DFT investigation into the effects of As-doping on the electronic structure and electrochemical activity of pyrite (FeS2).

Pyrite (FeS2) is a semiconductor mineral with electronic structural properties that are heavily influenced by trace elements in its composition. It has been demonstrated experimentally that the reduction of Fe3+ ions is significantly enhanced in the presence of trace arsenic (As) atoms in FeS2. Using density functional theory calculations, we compare the geometric and electronic structural properties of pure and As-doped (110) pyrite surfaces. The interaction of the Fe3+ ion, a common oxidant of sulfides in acidic solution and acid mine drainage, with the aforementioned surfaces is thoroughly investigated. The findings reveal that the addition of an As atom alters the electronic structure of pyrite and decreases its band gap. The adsorption energy of the Fe3+ ion on As-doped pyrite is greater than that on pure pyrite. The calculated Gibbs free energy changes show that the reduction of Fe3+ to Fe2+ ion on the As-modified surface is thermodynamically more favorable than on pure pyrite.

The advantages of clay mineral modification methods for enhancing adsorption efficiency in wastewater treatment: a review.

This review discusses the recent trends in the research over the last 30 years to use clay minerals in natural and modified forms for removing different toxic organic/inorganic pollutants. The natural and modified forms of clay minerals have an exceptional ability to remove different contaminants. However, the modification methods can improve the clay mineral adsorption properties that consequently increase more adsorption sites and functional groups to adsorb different environmental pollutants. This review shows the importance of modification methods and more extension of novel clay preparation based on nanotechnology which could raise the control of pollution. The syntheses of functionalized clays such as pillared clays and porous clay heterostructures introduce the new class of heterostructure materials with high adsorption capacity, capability, and selectivity. Due to the acceptable properties of heterostructure materials including high specific surface area, thermal and mechanical stability, and the existence of multifunctional groups to selective adsorption, this review collects more literature of research related to environmental protection issues. However, it is expected much attention to get a better understanding of the adsorption mechanism, regeneration, and recovery process of these materials.

Structural modification of nano bentonite by aluminum, iron pillarization and 3D growth of silica mesoporous framework for arsenic removal from gold mine wastewater.

The elevated contamination of arsenic species emitted from gold mine activities causes serious environmental problems. The modification of natural bentonite clay to obtain the adsorbent with high porosity, large surface area, and high adsorption capacity creates a new group of porous and heterostructure materials for immobilization of arsenic species from gold mine wastewater under alkaline condition, owing to the gold cyanidation process. There is a limited approach in alkaline mine wastewater, because of the negative surface charge of most adsorbents. In this research, the adsorbability of arsenic under synthetic and real alkaline wastewater was investigated for the first time. The Visual MINTEQ geochemical modeling software was applied to simulate the arsenic species under different pH, temperature and co-existing ions in mine wastewater obtained from dewatering unit in Zarshuran gold mine. Optimized parameters and better adsorbent were initially determined from synthetic alkaline wastewater, then the efficiency of the adsorption process in real alkaline mine wastewater was measured. In real wastewater treatment, the obtained adsorption efficiency higher than 70% with high reusability in the alkaline condition is an appropriated for only one step process. The major mechanism for adsorption was chemical with complexation in rapid and slow diffusion into the active sites.