Efficient adsorption of hexavalent chromium ions onto novel ferrochrome slag/polyaniline nanocomposite: ANN modeling, isotherms, kinetics, and thermodynamic studies.

The current research is concerned with the adsorption behavior of chromium (IV) ions in an aqueous solution using a novel ferrochrome slag/polyaniline nanocomposite (FeCr-PANI) adsorbent. The effect of process parameters such as temperature, pH solution, initial Cr (VI) ions concentration, adsorbent dosage, and contact time on the adsorption process is experimentally investigated in this study. Furthermore, we have trained a multilayer artificial neural network (ANN) using the experimental data of various process parameters to successfully predict the adsorption behavior of chromium (IV) ions onto the FeCr-PANI adsorbent.

Insight into the Exemplary Physical Properties of Zn-Based Fluoroperovskite Compounds XZnF (X = Al, Cs, Ga, In) Employing Accurate GGA Approach: A First-Principles Study.

Using the full-potential linearized augmented plane wave (FP-LAPW) method, dependent on density functional theory, the simple cubic ternary fluoroperovskites XZnF (X = Al, Cs, Ga, In) compound properties, including structural, elastic, electronic, and optical, are calculated. To include the effect of exchange and correlation potentials, the generalized gradient approximation is applied for the optimization operation. This is identified, when we are changing the metallic cation specified as "X" when shifting to Al from Cs, the value of the bulk modulus is found to increase, showing the rigidity of a material.