Theoretical study of molecular interactions of phosphorus ylide with HF, HCN, and HN3

The molecular interactions between phosphorous ylide (PY) and HX molecules (X?=?F, CN, and N₃) were investigated using the MP2 method at 6-311++G(2d,2p) basis set. Three different patterns including non-classical hydrogen bond H···C, X···P interaction and classical hydrogen bond H···X were found for complex formation between PY and HX molecules. From the predicted models, stability of the H···C type complexes are greater than other types. Quantum theories of atoms in molecules and natural bond orbitals methods have been applied to analyze the intermolecular interactions. Good correlations have been found between the interaction energies (SE), the second-order perturbation energy E ⁽²⁾, and the charge transfer qCT in the studied systems.     

The effect of starvation periods on the performance of a two-liquid-phase mixed tank bioreactor for removal of n-hexane from air streams

In this research the effect of silicone oil as a heavy organic solvent on the performance of a mixed tank bioreactor was investigated. In the first stage of the experiments, the response of a two-liquid-phase mixed tank bioreactor to periods of n-hexane starvation was compared with that of a control bioreactor. In the control bioreactor, after 3?days of starvation, approximately six days were needed to reach the removal efficiency it had before starvation. This figure was only 10?h for the silicone oil-containing bioreactor. The results confirmed that inclusion of a heavy organic solvent can increase the elimination capacity of a bioreactor and to help sustain high elimination capacity after starvation periods. In the second stage of the experiments, the effect of the amount of silicone oil on the performance of the bioreactor was investigated. Increasing the amount of oil from 5 to 10% (v/v) increased the maximum elimination capacity from 106 to 117?g/m³?h.     

Lack of anomalous diffusion in linear translationally-invariant systems determined by only one initial condition

It is shown that as far as the linear diffusion equation meets both time- and space-translational invariance, the time dependence of a moment of degree α is a polynomial of degree at most equal to α, while all connected moments are at most linear functions of time. As a special case, the variance is an at most linear function of time.     

Phase-field modeling of void evolution and swelling in materials under irradiation

Void swelling is an important phenomenon observed in both nuclear fuels and cladding materials in operating nuclear reactors. In this work we develop a phase-field model to simulate void evolution and void volume change in irradiated materials. Important material processes, including the generation of defects such as vacancies and self-interstitials, their diffusion and annihilation, and void nucleation and evolution, have been taken into account in this model. The thermodynamic and kinetic properties, such...     

Temperature tunable random laser using superconducting materials

We propose that spectral intensity of superconductor based random lasers can be made tunable by changing temperature. The two fluid model and wavelength dependent dispersion formula have been employed to describe the optical response of the superconducting materials. Random laser characteristics have been calculated using the one dimensional FDTD method. Our simulation results reveal that the emission spectrum can be manipulated through the ambient temperature of the system. It is observed that transition from metal phase to pure superconducting phase leads to the enhancement of the laser emission. Furthermore, spatial distribution of the fields in one dimensional disordered media is very sensitive to the system temperature.     

An active and selective heterogeneous catalytic system for Michael addition

Potassium fluoride doped natural zeolite was found to be an efficient and selective solid base catalyst for 1,4-Michael addition. The catalyst is easily prepared and the workup procedure simplified by simple filtration.All products were obtained in high yields as well as short reaction times.     

Mathematical modeling of a slurry reactor for DME direct synthesis from syngas

In this paper,an axial dispersion mathematical model is developed to simulate a three-phase slurry bubble column reactor for direct synthesis of dimethyl ether(DME) from syngas.This large-scale reactor is modeled using mass and energy balances,catalyst sedimentation andsingle-bubble as well as two-bubbles class flow hydrodynamics.A comparison between the two hydrodynamic models through pilot plantexperimental data from the literature shows that heterogeneous two-bubbles flow model is in better agreement with the experimental data thanhomogeneous single-bubble gas flow model.Also,by investigating the heterogeneous gas flow and axial dispersion model for small bubblesas well as the large bubbles and slurry(i.e.including paraffins and the catalyst) phase,the temperature profile along the reactor is obtained.Acomparison between isothermal and non-isothermal reactors reveals no obvious performance difference between them.The optimum values ofreactor diameter and height were obtained at 7 m and 50 m,respectively.The effects of operating variables on the axial catalyst distribution,DME productivity and CO conversion are also investigated in this research.     

Complete Moment Convergence for the Dependent Linear Processes with Random Coefficients

In this paper, we investigate the complete moment convergence for dependent linear processes with random coefficients to form     

Synthesis of MnAl2O4 nanocrystallites by Pechini and sequential homogenous precipitation methods: characterization, product comparison, photocatalytic effect, and Taguchi optimization

Nanocrystalline manganese aluminate (MnAl₂O₄) has been synthesized by Pechini and sequential homogenous precipitation methods and the results have been compared. The Taguchi L₄ statistical design was utilized to optimize the production of MnAl₂O₄ nanoparticles by Pechini method. The MnAl₂O₄ nanocrystallites obtained by Pechini and sequential homogenous precipitation methods had the average particle size of 26.5 and 49.5 nm, respectively. The products were characterized with X-ray diffraction, laser light scattering, thermogravimetry analysis, Fourier transform infrared, UV–visible, energy dispersive X-ray, scanning electron microscope and inductively coupled plasma analyses. The photocatalytic activities of MnAl₂O₄ nanoparticles synthesized by two methods were investigated using aqueous solution of methylene blue under irradiation of visible light.