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.     

Selective formation of spiro dihydrofurans from one-pot reaction of dimedone with BrCN and aldehydes in the presence of Et3N

Reaction of 5,5-dimethylcyclohexane-1,3-dione (dimedone), aldehydes and cyanogen bromide in the presence of triethylamine leads to the selective formation of spiro dihydrofurans in moderate to good yields at room temperature.     

One-pot synthesis of 4,5-disubstituted 1,2,3-(NH)-triazoles by silica supported-zinc bromide in the aerobic condition

An efficient one-pot cross-coupling/1,3-dipolar cycloaddition sequence was developed for a convenient synthesis of 4,5-disubstituted-1,2,3-(NH)-triazoles, starting from various acid chlorides, terminal alkynes and sodium azide in the presence of silica supported-zinc bromide under aerobic conditions.     

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.     

A Class of Super Dense Stars Models Using Charged Analogues of Hajj-Boutros Type Relativistic Fluid Solutions

We present a spherically symmetric solution of the general relativistic field equations in isotropic coordinates for perfect charged fluid, compatible with a super dense star modeling. The solution is well behaved for all the values of Schwarzschild parameter u lying in the range 0 < u < 0.1727 for the maximum value of charge parameter K = 0.08163. The maximum mass of the fluid distribution is calculated by using stellar surface density as ρ _b = 4.6888×10¹⁴g cm^?3. Corresponding to K = 0.08 and u _max = 0.1732, the resulting well behaved solution has a maximum mass M = 0.9324M _⊙ and radius R = 8.00 and by assuming ρ _b = 2×10¹⁴g cm^?3 the solution results a stellar configuration with maximum mass M = 1.43M _⊙ and radius R _b = 12.25 km. The maximum mass is found increasing with increasing K up to 0.08. The well behaved class of relativistic stellar models obtained in this work might has astrophysical significance in the study of internal structure of compact star such as neutron star or self-bound strange quark star like Her X-1.     

An optimal type II fuzzy sliding mode control design for a class of nonlinear systems

This study deals with the problem of controlling a class of uncertain nonlinear systems in the presence of external disturbances. To achieve this goal, a new Optimal Type-2 Fuzzy Sliding Mode Controller (OT2FSMC) is introduced. In the proposed controller, a novel heuristic algorithm, namely particle swarm optimization with random inertia weight (RNW–PSO), is employed. To achieve an optimal performance, the parameters of the proposed controller as well as the input and output membership functions are optimized simultaneously by RNW–PSO. The globally asymptotic stability of the closed-loop system is mathematically proved. Finally, this method of control is applied to the inverted pendulum system as a case study. Simulation results show the system performance is desirable.     

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...