Sharif Digital Repository

Herein, magnetic metal-organic framework nanocomposite (ZIF-8@SiO2@MnFe2O4) was synthesized. The ultrasound-assisted simultaneous adsorption of Malachite Green (MG) and Methyl Orange (MO) as cationic and anionic dyes onto ZIF-8@SiO2@MnFe2O4 magnetic microporous nanocomposite (MMNC) as a novel adsorbent was investigated. The FTIR, FESEM, TEM, XRD, BET and VSM were used to characterize the prepared adsorbent. The analysis of dyes concentration in a binary mixture was investigated using zero-order and first order derivative spectrophotometry. The individual effects and possible interactions between the various parameters were investigated by response surface methodology (RSM). The optimized... 

Activated carbon (AC) is an inert adsorbent material that has widely been used in water treatment or removing of environmental pollutants from water. In order to improve the adsorption of AC, which highly depends on its pore size and surface area, we prepared highly porous adsorbent composites of activated carbon (AC)/chromium-based MOF (MIL-101(Cr)). The composite has a high specific surface area of 2440 m2 g−1 and total pore volume of 1.27 cm3 g−1. To show the efficiency of the composite as an adsorbent, the removal kinetics of anionic dyes (Direct Red 31 and Acid Blue 92) from aqueous solutions dependent on the amount of composite, adsorption time, concentration of dye and pH is... 

The oxidation-precipitation method was used for the synthesis of Fe3O4/AC. The characterization of the catalyst was accomplished by XRD, FT-IR, FE-SEM, BET, and VSM techniques. The obtained results indicated that magnetite nanoparticles were successfully prepared with cubic spinel structures and uniform distribution on the surface of activated carbon by the oxidation-precipitation method. The effect of operating parameters was evaluated to determine the optimum operating condition for the electro-Fenton (EF) removal of catechol as a phenolic pollutant model. At the optimum operating conditions (pH 3, Fe3O4/AC: 0.9 g L−1, Catechol: 8.0 × 10−4mol L−1 at I: 120 mA), the catechol and COD removal... 

A film composed of carbon nanoparticles and poly(diallyldimethylammonium chloride) or CNP-PDDAC is formed in a layer-by-layer deposition process at tin-doped indium oxide (ITO) substrates. Excess positive binding sites within this film in aqueous phosphate buffer at pH 9.5 are quantified by adsorption of iron(III)phthalocyanine tetrasulfonate and indigo carmine. Both anionic redox systems bind with Langmuirian characteristics (K ≈ 105 mol-1 dm3) and show electrochemical reactivity throughout the film at different thicknesses. Therefore, the electrical conductivity in CNP-PDDAC films is good and the positive binding sites are approximately 140 pmol cm-2 per layer. Structural instability of... 

The catalytic activity of highvalent iron-oxo active species of heme enzymes is known to be dependent on the nature of the axial ligand trans to the iron-oxo group. In a similar fashion, experimental studies on iron-oxo porphyrin biomimetic systems have shown a significant axial ligand effect on ethylbenzene hydroxylation, with an axial acetonitrile ligand leading to phenyl hydroxylation products and an axial chloride anion giving predominantly benzyl hydroxylation products. To elucidate the fundamental factors that distinguish this regioselectivity reversal in iron-oxo porphyrin catalysis, we have performed a series of density functional theory calculations on the hydroxylation of... 

The interactions between five amino acid based anions ([AA] - (AA = Gly, Phe, His, Try, and Tyr)) and N7,N9-dimethylguaninium cation ([dMG] +) have been investigated by the hybrid density functional theory method B3LYP together with the basis set 6-311++G(d,p). The calculated interaction energy was found to decrease in magnitude with increasing side-chain length in the amino acid anion. The interaction between the [dMG] + cation and [AA] - anion in the most stable configurations of ion pairs is a hydrogen bonding interaction. These hydrogen bonds (H bonds) were analyzed by the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis. Finally, several correlations... 

Bridgehead C-H bond dissociation enthalpies of 105.7 ± 2.0, 102.9 ± 1.7, and 102.4 ± 1.9 kcal mol -1 for bicyclo[2.2.1]heptane, bicyclo[2.2.2]octane, and adamantane, respectively, were determined in the gas phase by making use of a thermodynamic cycle (i.e., BDE(R-H) = ΔH° acid(H-X) - IE(H •) + EA(X •)). These results are in good accord with high-level G3 theory calculations, and the experimental values along with G3 predictions for bicyclo[1.1.1]pentane, bicyclo[2.1.1]hexane, bicyclo[3.1.1]heptane, and bicyclo[4.2.1]nonane were found to correlate with the flexibility of the ring system. Rare examples of alkyl anions in the gas phase are also provided  

Mass-transfer rates to and from drops in liquid-liquid extraction processes are often reduced by the presence of contaminants. To design an industrial extractor, it is essential to consider this contamination effect in a quantitative manner. To achieve this goal, an experimental investigation was conducted on the mass transfer into single drops for n-butanol-succinic acid-water, as the recommended test system by the European Federation of Chemical Engineering (EFCE). The effects of anionic (sodium dodecyl sulfate, SDS), cationic (dodecyl trimethyl ammonium chloride, DTMAC), and nonionic (octylphenol decaethylene glycol ether, Triton X-100) surfactants on the hydrodynamic and mass-transfer... 

A theoretical model was developed to describe a dynamic process involving an enzymatic reaction and diffusion of reactants and product inside glucose sensitive composite membrane. The composite membrane consisted of nanoparticles of a weakly acidic polymer, glucose oxidase and catalase embedded in a hydrophobic polymer. Time- and position-dependent diffusivity of involved species was considered in the model. Donnan equilibrium was used to find concentrations of buffer ions inside the membrane. The profiles of pH, species concentrations, volume fraction of swollen gel, polymer and water-filled space, as well as solute diffusivity inside the membrane were predicted by the model as a function... 

Despite previous researches on ion-engineered waterflooding (IEWF), its underlying mechanisms are not fully understood, particularly in presence of additives, like surfactants. This paper concerned with the contribution of Ca 2+ , Mg 2+ , SO 4 2- and Na + into altering wettability of oil-wet carbonate minerals towards water preferred state. As a mechanistic study, an experiment workflow was conducted to probe the impact of ions' concentrations in SW, either with or without sodium dodecylbenzene sulfonate (SDBS) which is an anionic surfactant. At first, contact angle (CA) measurement was carried out to evaluate the degree of wettability reversal upon treating the oil-aged calcite slabs with... 

La-MOF-NH2@Fe3O4 (magnetic-MOF) was used as an efficient, ultrafast, and selective adsorbent for the separation of Congo Red (CR) with 92.02% removal after 2 min. The magnetic-MOF was identified by X-ray diffraction (XRD), thermogravimetric analysis (TGA), Brunauer-Emmett-Teller (BET) surface area, Zeta Potential analysis, analysis of the magnetic hysteresis, Fourier-transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDS). Kinetics, isotherms, the effect of pH, thermodynamic, and selectivity of CR adsorption were investigated. The results confirmed that the adsorption kinetics complied with the pseudo-second-order model. The... 

Because of the recent frequent observations of major dust storms in southwestern cities in Iran such as Ahvaz, and the importance of the ionic composition of particulate matters regarding their health effects, source apportionment, etc., the present work was conducted aiming at characterizing the ionic composition of total suspended particles (TSP) and particles on the order of ∼10 μm or less (PM10) during dust storms in Ahvaz in April-September 2010. TSP and PM10 samples were collected and their ionic compositions were determined using an ion chromatography. Mean concentrations of TSP and PM10 were 1,481.5 and 1,072.9 μg/m 3, respectively. Particle concentrations during the Middle Eastern... 

This work concerns the experimental investigation of surfactant alternating CO 2 injection in carbonate rocks. The core samples provided from a low-temperature fractured light oil reservoir, located in southwest Iran. The experiments were designed to observe the effect of CO 2-foam injection on gas mobility and oil recovery at different surfactant concentrations. The core samples were initially saturated with synthetic/field brine, 5,000 ppm, and then flooded with live oil to reach connate water saturation at reservoir condition, 115F and 1,700 psia. The commercial surfactant used was sodium lauryl sulfate as an anionic surfactant. The results of this work, along with field-scale simulation... 

Calcite is among the most abundant minerals organizing the oil reservoir formation and therefore its surface properties play a central role in the increase of the oil recovery efficiency. The effect of low-salinity water in carbonate rocks reveals that brine composition and salinity can improve the oil recovery in carbonates through wettability alteration. However, the specific mechanism for wettability changes that leads to improved oil recovery in calcite is not well understood. To obtain deeper insights at atomic level into the understanding the characteristics of the calcite-water interface, we performed classical molecular dynamics simulations in the presence of different ions in brine...