Biosorption of rhodamine B and sunset yellow dyes on cross-linked chitosan-alginate biocomposite beads: Experimental and theoretical studies.

This research explores the biosorption of Rhodamine B (Rd-B) and Sunset Yellow (SY) dyes using cross-linked chitosan-alginate (Ch-A) biocomposite beads, combining experimental investigations with theoretical studies to elucidate the biosorption mechanisms. The biocomposite beads were synthesized through an eco-friendly cross-linking method, and their structural properties were characterized using various characterization techniques. Complementary theoretical studies using Monte Carlo (MC) simulations and molecular dynamics (MD) calculations provided insights into the molecular interactions between the dyes and the biocomposite beads.

Monte Carlo, molecular dynamic, and experimental studies of the removal of malachite green using g-CN/ZnO/Chitosan nanocomposite in the presence of a deep eutectic solvent.

Deep-eutectic solvents (DES) have emerged as promising candidates for preparing nanocomposites. In this study, a DES-based graphitic carbon nitride (g-CN)/ZnO/Chitosan (Ch) nanocomposite was synthesized to remove malachite green (MG) dye from water. The DES was prepared by mixing and heating citric acid as a hydrogen bond acceptor and lactic acid as a hydrogen bond donor.

Removal of cadmium and lead ions from aqueous solutions by novel dolomite-quartz@FeO nanocomposite fabricated as nanoadsorbent.

The elimination of heavy metal ion contaminants from residual waters is critical to protect humans and the environment. The natural clay (dolomite and quartz) based composite FeO nanoparticles (DQ@FeO) has been largely explored for this purpose. Experimental variables such as temperature, pH, heavy metal concentration, DQ@FeO dose, and contact time were optimized in details.

Multifunctional cobalt oxide nanocomposites for efficient removal of heavy metals from aqueous solutions.

In this study, co-precipitation synthesis of natural clay (NC) with CoO nanoparticles (NPs) is carried out to elaborate the super NC@CoO nanocomposites with admirable salinity confrontation, environmental stability and reusability, to eliminate heavy metal pollution such as toxic Pb(II) and Cd(II) ions. The advantages of using the NC@CoO adsorbent are easy synthesis and biocompatibility. In addition, NC@CoO can keep an excellent adsorption capacity by taking into account various environmental parameters such as the pH solution, NC@CoO dose, adsorption process time and the initial heavy metals concentration.

Removal of Methyl Violet from Aqueous Solution by Adsorption onto Halloysite Nanoclay: Experiment and Theory.

Methyl Violet (MV) was removed from aqueous solutions by adsorption onto halloysite nanoclay (HNC) employing equilibrium, kinetics, thermodynamic data, molecular modellingR (MD), and Monte Carlo (MC) simulations. The chosen experimental variables were pH, temperature, starting MV concentration, contact time, and adsorbent dosage. The adsorption rate was determined to increase with increasing contact time, initial dye concentration, pH, and temperature.

Experimental and Theoretical Studies on Corrosion Inhibition of Niobium and Tantalum Surfaces by Carboxylated Graphene Oxide.

The corrosion of two different metals, niobium and tantalum, in aqueous sulfuric acid solution has been studied in the presence and absence of carboxylated graphene oxide. Potentiodynamic measurements indicate that this nanomaterial inhibits corrosion due to its adsorption on the metal surfaces. The adsorbed layer of carboxylated graphene hinders two electrochemical reactions: the oxidation of the metal and the transport of metal ions from the metal to the solution but also hydrogen evolution reaction by acting as a protective barrier.

Corrosion Study of Mild Steel in Aqueous Sulfuric Acid Solution Using 4-Methyl-4H-1,2,4-Triazole-3-Thiol and 2-Mercaptonicotinic Acid-An Experimental and Theoretical Study.

The corrosion behavior of mild steel in 0.1 M aqueous sulfuric acid medium has been studied using weight loss, potentiodynamic polarization measurements, quantum chemical calculations, and molecular dynamic simulations in the presence and absence of 4-methyl-4H-1,2,4-triazole-3-thiol and 2-mercaptonicotinic acid. Potentiodynamic measurements indicate that these compounds mostly act as mixed inhibitors due to their adsorption on the mild steel surface.