Selective and highly efficient removal of uranium from radioactive effluents by activated carbon functionalized with 2-aminobenzoic acid as a new sorbent.

The purpose of this study was modification of activated carbon (AC) to prepare a new selective sorbent for removal of uranium ion. The modification was performed by introducing carboxyl groups onto AC using ammonium persulfate (APS) in sulfuric acid solution followed by functionalization with 2-aminobenzoic acid (ABA) as a selective ligand for U (VI) ion (UO) adsorption. The characterization of the synthetized sorbent (AC-ABA) was carried out through several methods including potentiometry, scanning electron microscopy, energy dispersive spectroscopy, x-ray diffraction and FT-IR to confirm successful functionalization of the sorbent surface with oxygen and amine groups.

Efficient removal and recovery of uranium from industrial radioactive wastewaters using functionalized activated carbon powder derived from zirconium carbide process waste.

Development of efficient sorbents for selective removing and recovery of uranium from radioactive wastewaters is highly important in nuclear fuel industries from the standpoint of resource sustainability and environmental safety issues. In this study, carbon powder waste was modified by various chemical activating agents under atmosphere of nitrogen gas at 725 °C to prepare an efficient sorbent for removal and recovery of uranium ions from radioactive wastewaters of nuclear fuel conversion facility. Activation of the carbon powder with KOH, among different activators, provided maximum porosity and surface area.

Synthesis of ion-imprinted polymer-decorated SBA-15 as a selective and efficient system for the removal and extraction of Cu(ii) with focus on optimization by response surface methodology.

Ion-imprinted polymer-decorated SBA-15 (SBA-15-IIP) for the adsorption of copper was synthesized and characterized using different techniques, including FT-IR, XRD, TG/DTA, SEM, BET, and TEM. It was used as a green, efficient and rapid sorbent for the removal of Cu(ii) from aqueous solution. The effect of several parameters on the removal percentage of copper was studied using the central composite design.

Decolorization of crystal violet from aqueous solutions by a novel adsorbent chitosan/nanodiopside using response surface methodology and artificial neural network-genetic algorithm.

A novel adsorbent of chitosan/nanodiopside nanocomposite (CS-NDIO) was synthesized as a green composite for the removal of crystal violet (CV) and characterized by techniques like XRD, FT-IR, BET, and FESEM analysis. The influence of parameters like molar ratios of CS to NDIO, initial pH of the solution, dosage of adsorbent, initial concentration of CV and contact time was investigated and evaluated by central composite design (CCD; 5 levels and 4 factors). Also, Hybrid model of (ANN) model with genetic algorithm (GA) optimization was applied to the experimental data get through CCD.

Efficient removal of crystal violet from aqueous solutions with Centaurea stem as a novel biodegradable bioadsorbent using response surface methodology and simulated annealing: Kinetic, isotherm and thermodynamic studies.

The novel green bioadsorbent, Centaurea stem, was utilized for crystal violet removal from aqueous solutions. SEM and FT-IR were used for characterization of Centaurea stem. The effects of the pH, time, temperature, bioadsorbent amount, and initial dye concentration were investigated.

A study of donor-acceptor in the charge transfer molecular complexes of some thiacrown ethers with dihalogen molecules by DFT method.

The molecular complexes of 1,3,5-trithiane, (TT), tetrathia-8-crown-4, (TT8C4), and trithia-9-crown-3 , (TT9C3) with dihalogens in the ground state were investigated in the gas and dicholoromethane phases using B3LYP method and 6-31G** and 6-31+G** bases sets. In both TT and TT8C4 complexes, it is predicted that charge transfer takes place from the dihalogen to the thiacrown ether molecule; the magnitude trend of the total CT was ICl > IBr > I2, and Cl2 > Br2 > I2, respectively. There was not such a trend with TT9C3.

Monitoring of the Physical and Chemical Properties of a Gasoline Engine Oil during Its Usage.

Physicochemical properties of a mineral-based gasoline engine oil have been monitored at 0, 500, 1000, 2000, 3500, 6000, 8500, and 11500 kilometer of operation. Tracing has been performed by inductively coupled plasma and some other techniques. At each series of measurements, the concentrations of twenty four elements as well as physical properties such as: viscosity at 40 and 100°C; viscosity index; flash point; pour point; specific gravity; color; total acid and base numbers; water content have been determined.

Using molecular structure for reliable predicting enthalpy of melting of nitroaromatic energetic compounds.

In this work, a reliable simple method has been introduced for predicting enthalpy of melting of nitroaromatic energetic compounds through their molecular structures. This method can be used for a wide range of nitroaromatics including halogenated nitroaromatic compounds. The contribution of hydrogen bonding and polar groups as well as structural parameters can be used to improve the predicted values on the basis of the number of carbon, nitrogen and oxygen atoms.

Reliable prediction of electric spark sensitivity of nitramines: a general correlation with detonation pressure.

For nitramines, a general correlation has been introduced to predict electric spark sensitivity through detonation pressure. New method uses maximum obtainable detonation pressure as a fundamental relation so that it can be corrected for some nitramines which have some specific molecular structure. There is no need to use crystal density and heat of formation of nitramine explosives for predicting detonation pressure and electric spark sensitivity.

Highly sensitive sensor for picomolar detection of insulin at physiological pH, using GC electrode modified with guanine and electrodeposited nickel oxide nanoparticles.

The electrochemical behavior of insulin at glassy carbon (GC) electrode modified with nickel oxide nanoparticles and guanine was investigated. Cyclic voltammetry technique has been used for electrodeposition of nickel oxide nanoparticles (NiOx) and immobilization of guanine on the surface GC electrode. In comparison to glassy carbon electrode modified with nickel oxide nanoparticles and bare GC electrode modified with adsorbed guanine, the guanine/nickel oxide nanoparticles/modified GC electrode exhibited excellent catalytic activity for the oxidation of insulin in physiological pH solutions at reduced overpotential.

Nanoparticles of zinc sulfide doped with manganese, nickel and copper as nanophotocatalyst in the degradation of organic dyes.

Nanoparticles of zinc sulfide as undoped and doped with manganese, nickel and copper were used as photocatalyst in the photodegradation of methylene blue and safranin as color pollutants. Photoreactivity of doped zinc sulfide was varied with dopant, mole fraction of dopant to zinc ion, pH of solution, dosage of photocatalyst and concentration of dye. The characterization of nanoparticles was studied using X-ray powder diffraction (XRD) patterns and UV-vis spectra.

Predicting activation energy of thermolysis of polynitro arenes through molecular structure.

The paper presents a new method for activation energy or the Arrhenius parameter E(a) of the thermolysis in the condensed state for different polynitro arenes as an important class of energetic molecules. The methodology assumes that E(a) of a polynitro arene with general formula C(a)H(b)N(c)O(d) can be expressed as a function of optimized elemental composition as well as the contribution of specific molecular structural parameters. The new method can predict E(a) of the thermolysis under conditions of Soviet Manometric Method (SMM), which can be related to the other convenient methods.

Prediction of shock sensitivity of explosives based on small-scale gap test.

A new method is described to predict shock sensitivity of C(a)H(b)N(c)O(d) explosives without using any experimental data. It can determine shock sensitivity based on small-scale gap test as the pressure required to initiate material pressed to 90%, 95% and 98% of theoretical maximum density. Three essential parameters would be needed in the new scheme which contain a+b/2-d, the existence of alpha-C-H linkage in nitroaromatic compounds or NNO(2) functional group and difference of the number of amino and nitro groups attached to aromatic ring.

Novel correlation for predicting impact sensitivity of nitroheterocyclic energetic molecules.

A novel correlation is introduced for predicting impact sensitivity of a variety nitroheterocyclic molecular types, such as nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles and nitropyrimidines. This approach is based on elemental composition and two structural parameters of C(a)H(b)N(c)O(d) nitroheterocyclic energetic compounds. The results for mentioned compounds are compared with complex neural networks computations which use compositional and topological descriptors.

The simplest method for calculating energy output and Gurney velocity of explosives.

Two correlations are introduced for calculating Gurney velocity as a useful parameter for thermochemical estimation of explosive energy output. For CaHbNcOd explosives, only the chemical composition of high explosive as well as its condensed or estimated gas phase heat of formation, which later is calculated by group additivity rules, is needed for calculating Gurney velocity. The introduced simple correlations in the present work may be applied to any explosive that contains the elements of carbon, hydrogen, nitrogen and oxygen with no difficulties at any loading density.