Preparation and characterization of SbCl<Subscript>5</Subscript> supported on coconut shell as nanocatalyst for the synthesis of novel 2-amino-3-phenylsulfonyl-4-aryl-4<Emphasis Type="Italic">H</Emphasis>-benzo[<Emphasis Type="Italic">h</Emphasis>]chromens

Pentachlorid antimony supported on coconut shell as an efficient and novel catalyst for one-pot synthesis of 2-amino-3-phenylsulfonyl-4-aryl-4H-benzo[h]chromen through three-component condensation of \( \alpha \)- naphtol, arylaldehydes and phenylsulfonyl (acetonitrile). Nanocatalyst pentachloride antimony supported on coconut shell was manufactured and characterized by FT-IR, TGA/DTG, XRD, EDX, FESEM and TEM techniques. The present method has advantages such as high activity, high reaction rate, recoverability of nanocatalyst, a simple experimental procedure, without any using of hazardous organic solvents under green conditions.     

Modified Graphite Paste Electrode with Lewatit FO36 Nanoresin/Multi-Walled Carbon Nanotubes for Determination of Quercetin

In the present study, the electrochemical oxidation of quercetin (QUR) was investigated using a graphite paste electrode (GPE) modified with multi-walled carbon nanotube and Lewatit FO36 nanoresin (LFONR-MWCNT/GPE). LFONR-MWCNT/GPE could effectively a sensitive anodic peak at around 0.23 V (vs. SCE) in a 0.10 M phosphate buffer solution. Modified electrode revealed that activated with multiwalled carbon nanotube and LFONR was capable of facilitating electron transfer and increasing surface area. The electrochemical oxidation of QUR was studied using cyclic voltammetry (CV) and linear sweep voltammetry (LSV). Some kinetic parameters for electrochemical oxidation of QUR including total number of electrons (n) and standard heterogeneous rate constant (k_s) were also determined. The calibration graph consisted of two linear segments of 1.8–25.0 μM, and 25.0–570.0 μM with a detection limit of 0.213 μM (based on 3S_b). The applicability of the method to juice of peach, red grape, sour cherry and Gincora tablets analysis was also evaluated.     

Experimental study of extraction fraction and mass transfer coefficient in a microchannel using butyl acetate/acetic acid/water chemical system

The droplet flow regime in microchannels can increase the mass transfer and chemical reactions considerably. In this work, the mass transfer of immiscible fluids of water as the solvent and butyl acetate containing 5 vol% of acetic acid as the feed is experimentally studied in a vertical flow inside a microchannel with the inner diameter of 8 mm. Effect of total flow velocity, Re number and volumetric flux ratio of two phases (Q_aq/Q_or) on the extraction fraction of acetic acid, mass transfer coefficient and droplet size were investigated. Based on the experiments, increasing the flux ratio can shift the flow regime from the plug to the droplet. Compared to the plug flow, the extraction fraction increased by 2–3 times in the droplet regime, depending on the total velocity, while the average diameter of the droplets decreased. Moreover, with the increase in the total velocity, the extraction fraction is reduced by 22%. However, in the case of the plug flow, the extraction fraction does not change appreciably with the increase in the total flow velocity. The mass transfer coefficient was found to increase monotonously with increasing Re number and an enhancement of 133% was achieved in the droplet flow regime.     

From nickel oxalate dihydrate microcubes to NiS<Subscript>2</Subscript> nanocubes for high performance supercapacitors

In this study, NiS₂ nanocubes were successfully synthesized by a novel facile solvothermal method using NiC₂O₄·2H₂O microstructures and used as an electrode for high-performance supercapacitors. The electrochemical properties of the prepared NiS₂ electrode were studied using galvanostatic charge–discharge analysis, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) studies. Its maximum specific capacitance was 2077 F g^?1 at a constant current density of about 0.65 A g^?1. Further, the EIS results confirmed the pseudocapacitive nature of the NiS₂ electrode. The experimental results suggested that the NiS₂ electro-active material demonstrates excellent electrochemical performance with high specific capacitance, low resistance, and excellent cycling stability.     

Thermochemistry of the Reaction of Solvated Sodium Ion Clusters with Thymine in the Gas Phase: An Example of the Reaction in Microcosmic Environment

The thermochemistry of the reaction of the microsolvated Na⁺ such as [Na(H₂O) _n ; n?=?1?6]⁺, [Na(NH₃) _n ; n?=?1?6]⁺ and [Na(H₂O) _n (NH₃) _m ; n?+?m?=?2?6]⁺ with thymine (Thy), as an example of a reaction in the microcosmic environment, have been studied in this work, theoretically. It was found that the increase of the number of solvent molecules in the structure of microsolvated Na⁺ is accompanied by the decrease of the standard enthalpy (\(\Delta H_{r}^{^\circ }\)) and Gibbs free (\(\Delta G_{r}^{^\circ }\)) energies of the reaction (Thy?+?[Na(X) _n ]⁺→Thy-Na(X) _n ⁺ ; X?=?solvent molecule). Also, the calculations showed that the electronic intermolecular interaction (?E_int) between the Thy and microslovated Na⁺ decreased with the increase of solvent molecules. For the interaction of the [Na(H₂O) _n ; n?=?4, 5 and 6]⁺ ions with the Thy, there was the probability of forming of the hydrogen bond between water molecules in the structure of solvated Na⁺ and the Thy. The gas phase infrared (IR) spectra of the complexes of the microsolvated Na⁺ with the Thy for different values of n were calculated and compared with each other to follow the change in the frequency of the stretching vibration of the interaction path between the C=O group of the Thy and Na (O…Na) with n. Using the calculated values of \(\Delta G_{r}^{^\circ }\) of the reactions, the mole fractions of the complexes of microsolvated Na⁺ ions with the Thy were calculated at different humidity.     

The effect of curvature of Li-doped polycyclic hydrocarbon on its interaction energy with H<Subscript>2</Subscript> and H<Subscript>2</Subscript>O: DF-SAPT (DFT) calculation

In this work, the interaction of three Li⁺-doped polycyclic hydrocarbons (Li⁺-DPH) with H₂ and H₂O was calculated to investigate the effect of curvature of substrate on the interaction energy (E_int). For this purpose, the E_int and its decomposed energy components (electrostatic (E_elec), exchange (E_exch), induction (E_ind), and dispersion energy (E_disp)) were calculated using DF-SAPT (DFT) methodology for the selected systems (Li⁺-(3,3) carbon nanotube (Li⁺-CNT33), Li⁺-(6,6) carbon nanotube (Li⁺-CNT66), and Li⁺-graphene). According to the results, E_int does not change significantly with curvature for the interaction between both H₂ and H₂O gases and the selected Li⁺-DPH. Since the variation of the E_int with the curvature of Li⁺-DPH is not significant, the selection of a planar Li⁺-DPH is a trustworthy model to develop a general force field for describing the interaction between a Li⁺-DPH and adsorbed gases. The results reveal that, in the case of the H₂, the components E_elect, E_exch, E_ind, and E_disp have shown a decreasing trend with Li⁺-DPH’s curvature decrement. However, for the H₂O, E_elect, E_exch, and E_ind decrease from the Li⁺-CNT33 to the Li⁺-CNT66 while they increase from the Li⁺-CNT66 to the Li⁺-graphene. In this case, the E_disp increases with a decrease of the curvature of Li⁺-DPH. Finally, it can be seen that although the variation of the E_int with the curvature of Li⁺-DPH is not significant, the variation trend of the interaction energy components and the amount of variation depend on the gas molecule and in some cases are not negligible.     

Adsorption of sodium dodecyl benzene sulfonate onto carbonate rock: Kinetics,equilibrium and mechanistic study

In this study, kinetics, equilibrium, and mechanisms of SDBS adsorption onto carbonate rock in presence/absence of alkaline/electrolyte, which is not well discussed in the available literature, is analyzed through batch experiments. Analysis of kinetic data showed that adsorption rate of SDBS onto carbonate is controlled by both boundary layer and intraparticle diffusion, also adsorption kinetics meets pseudo second-order model. The coefficient of kinetic model is a linear function of initial and equilibrium concentrations. The adsorption isotherm experiences four distinct regions, with a rising trend in the first regions until reaching to a maximum after which decreases slightly, as the fourth region, due to micellar exclusion. The prevailing mechanisms in other regions were also discussed. Presence of alkaline changes adsorption mechanisms, so that adsorption isotherm matches well with the Langmuir model, while presence of electrolyte does not change the adsorption mechanisms, but it lessens repulsion between surfactant heads which results in a slight reduction in amount of CMC. A new three-parameter equilibrium model is presented which considers all prevailing mechanisms, and matches properly with obtained experimental data, especially the decreasing trend of fourth region which is very difficult to predict along with other regions using a unique isotherm model.     

Magnetic g-C3N4 nanocomposite-catalyzed environmentally benign aminolysis of epoxide

Research on Chemical Intermediates - A magnetic graphitic carbon nitride (g-C3N4) nanocomposite was prepared and used as a novel magnetically retrievable nanocatalyst for efficient ring opening of...     

Catalyst-free synthesis of 1,2,4,5-tetrasubstituted imidazoles from arylamins,benzonitriles, arylglyoxals,and Meldrum’s acid

An efficient and catalyst-free for the synthesis of 1,2,4,5-tetrasubstituted imidazoles has been developed using a one-pot, two-step reaction of arylamins, benzonitriles, arylglyoxals, and Meldrum’s acid. All the products were obtained in good to excellent yields and their structures were established from their spectroscopic data.