Synthesis of New Dibenzosulfide and Dibenzosulfoxide Macrocyclic Compounds

Some new dibenzosulfo, dibenzosulfoxo macrocyclic diamides are synthesized.     

SYNTHESIS OF NEW BENZOSULFOXIDE MACROCYCLIC COMPOUNDS

Bis(dibenzosulfoxo)-27,30,35,38-tetramethyl-24-crown-6, bis(dibenzosulfoxo)-21,24,29,32-tetramethyl-18-crown-4, dibenzosulfoxo-15,18-dimethyl-12-crown-3 and dibenzosulfoxo-12,15-dimethyl-9-crown-2 macrocycles are synthesized by the reaction of 2,2′-sulfinyl-bis(4-methyl phenol)and 1,2-dibromoethane and diethyleneglycol di-p-toluenesulfonate.     

Clathrate formation and dissociation in vapor/water/ice/hydrate systems in SBA-15, sol-gel and CPG porous media, as probed by NMR relaxation, novel protocol NMR cryoporometry, neutron scattering and ab initio quantum-mechanical molecular dynamics simulation

The Gibbs-Thomson effect modifies the pressure and temperature at which clathrates occur, hence altering the depth at which they occur in the seabed. Nuclear magnetic resonance (NMR) measurements as a function of temperature are being conducted for water/ice/hydrate systems in a range of pore geometries, including templated SBA-15 silicas, controlled pore glasses and sol-gel silicas. Rotator-phase plastic ice is shown to be present in confined geometry, and bulk tetrahydrofuran hydrate is also shown to probably have a rotator phase. A novel NMR cryoporometry protocol, which probes both melting and freezing events while avoiding the usual problem of supercooling for the freezing event, has been developed. This enables a detailed probing of the system for a given pore size and geometry and the exploration of differences between hydrate formation and dissociation processes inside pores. These process differences have an important effect on the environment, as they impact on the ability of a marine hydrate system to re-form once warmed above a critical temperature. Ab initio quantum-mechanical molecular dynamics calculations are also being employed to probe the dynamics of liquids in pores at nanometric dimensions.     

Preparation and characterization of gamma irradiated ZnO/PANI hybrid films

Journal of Radioanalytical and Nuclear Chemistry - In this study, Zinc Oxide/Polyaniline (ZnO/PANI) hybrid was successfully synthesized using the combination of in-situ chemical oxidative...     

Synthesis,Characterization and Photocatalytic Activity of Mg‐Impregnated ZnO–SnO2 Coupled Nanoparticles

ZnO–SnO₂ nanoparticles were prepared by coprecipitation method; then Mg, with different molar ratios and calcination temperatures, was loaded on the coupled nanoparticles by impregnation method. The synthesized nanoparticles were characterized by X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X‐ray spectroscopy (EDX), transmission electron microscopy (TEM), diffuse reflectance spectroscopy (DRS), and Brunauer–Emmett–Teller (BET) techniques. Based on XRD results, the ZnO–SnO₂ and Mg/ZnO–SnO₂ nanoparticles were made of ZnO and SnO₂ nanocrystallites. According to DRS spectra, the band gap energy value of 3.13 and 3.18 eV were obtained for ZnO–SnO₂ and Mg/ZnO–SnO₂ nanoparticles, respectively. BET analysis revealed a Type III isotherm with a microporous structure and surface area of 32.051 and 49.065 m² g^?1 for ZnO–SnO₂ and Mg/ZnO–SnO₂, respectively. Also, the spherical shape of nanocrystallites was deduced from TEM and FESEM images. The photocatalytic performance of pure ZnO–SnO₂ and Mg/ZnO–SnO₂ was analyzed in the photocatalytic removal of methyl orange (MO). The results indicated that Mg/ZnO–SnO₂ exhibited superior photocatalytic activity to bare ZnO–SnO₂ photocatalyst due to high surface area, increased MO adsorption and larger band gap energy. Maximum photocatalytic activity of Mg/ZnO–SnO₂ nanoparticles was obtained with 0.8 mol% Mg and calcination temperature of 350°C.     

Legendre spectral method for the fractional Bratu problem

In this paper, the Legendre spectral collocation method (LSCM) is applied for the solution of the fractional Bratu's equation. It shows the high accuracy and low computational cost of the LSCM compared with some other numerical methods. The fractional Bratu differential equation is transformed into a nonlinear system of algebraic equations for the unknown Legendre coefficients and solved with some spectral collocation methods. Some illustrative examples are also given to show the validity and applicability of this method, and the obtained results are compared with the existing studies to highlight its high efficiency and neglectable error.     

Optical and structural properties of nanocrystalline PbS thin film grown by CBD on Si(1 0 0) substrate

PbS nanocrystalline thin film was prepared by chemical bath deposition on Si(1?0?0) substrate at bath temperatures of 25, 45 and 65 °C. Triethanolamine was added to the aqueous solution, which decreased the grain size and increased the luminescence of the nanocrystalline PbS thin film. PbS nanocrystals were identified using XRD, TEM and AFM. The crystalline size of the PbS film deposited at different bath temperatures was estimated by XRD and TEM to be 7–12 nm. The growth mechanism of the PbS crystallites were described at different bath temperatures. The confinement was reflected in the absorption spectra, photoluminescence excitation and photoluminescence spectra. The luminescence of Si(1?0?0) substrate and PbS nanocrystalline film deposited on Si(1?0?0) were compared, and the results revealed that the PbS nanocrystals altered and notably enhanced the emission features of the Si(1?0?0) substrate. The shifting of the maximum photoluminescence emission wavelength of PbS nanocrystals with a change in bath temperature and the variation in photoluminescent intensity of PbS nanocrystals prepared at 25 °C versus deposition time were investigated. A single-peak fit of a Gaussian function was employed to discern the photoluminescence of PbS on Si(1?0?0) substrate.     

A collocation method based on Bernoulli operational matrix for numerical solution of generalized pantograph equation

This paper presents a direct solution technique for solving the generalized pantograph equation with variable coefficients subject to initial conditions, using a collocation method based on Bernoulli operational matrix of derivatives. Only small dimension of Bernoulli operational matrix is needed to obtain a satisfactory result. Numerical results with comparisons are given to confirm the reliability of the proposed method for generalized pantograph equations.     

Development of a Henry’s constant correlation and solubility measurements of n-pentane,i-pentane,cyclopentane, n-hexane,and toluene in water

In this communication, we report new experimental data on n-pentane, i-pentane, cyclopentane, n-hexane, and toluene solubility in water at low temperature (below 298.15 K) and atmospheric pressure conditions. The new experimental data together with those reported in the literature have been used in developing a new equation for Henry’s constants of normal alkanes (methane to decane), BETEX compounds, and acid gases in aqueous phase over a wide range of temperature (typically from 273.15 K to 373.15 K). The new equation is based on a thermodynamic model, which uses the Peng–Robinson equation of state combined with the classical quadratic mixing rules for modelling non-aqueous phases, while the NRTL model is used to calculate the water activity.The predictions of the developed thermodynamic model are compared to the experimental data and the results of a thermodynamic approach, which uses the Valderrama modification of the Patel–Teja equation of state and non-density dependent mixing rules for modelling all fluid phases. Good agreement is observed between the experimental data and the model predictions.     

A New Approach for Solving a Class of Delay Fractional Partial Differential Equations

In this article, a new numerical approach has been proposed for solving a class of delay time-fractional partial differential equations. The approximate solutions of these equations are considered as linear combinations of Müntz–Legendre polynomials with unknown coefficients. Operational matrix of fractional differentiation is provided to accelerate computations of the proposed method. Using Padé approximation and two-sided Laplace transformations, the mentioned delay fractional partial differential equations will be transformed to a sequence of fractional partial differential equations without delay. The localization process is based on the space-time collocation in some appropriate points to reduce the fractional partial differential equations into the associated system of algebraic equations which can be solved by some robust iterative solvers. Some numerical examples are also given to confirm the accuracy of the presented numerical scheme. Our results approved decisive preference of the Müntz–Legendre polynomials with respect to the Legendre polynomials.