Ionothermal synthesis of a three-dimensional zinc phosphate with DFT topology using unstable deep-eutectic solvent as template-delivery agent

A three-dimensional zinc phosphate compound with DFT topology, designated as ZnPO₄-EU1, has been synthesized by an ionothermal approach from the system HF-ZnO–P₂O₅-choline chloride-imidazolidone. Ethylenediamine, derived from decomposition of the imidazolidone component of the deep-eutectic solvent (DES) itself, is delivered to the synthesis and serves as an appropriate template for ZnPO₄-EU1. Experiments in which the synthesis conditions were varied showed that ZnPO₄-EU1 may be prepared over a wide molar ratio of P/Zn = 0.55–13.0. Powder X-ray diffraction patterns have been obtained at intervals to track the crystallization process of this material. The experimental data show that Zn₃(PO₄)₂ · 4H₂O (a dense phase) was first isolated from the DES after reaction for 1 h. Subsequently, the pure phase of ZnPO₄-EU1 was obtained with increasing crystallization time from 12 h to 72 h. The experimental results show that the nucleation and crystallization take place with relatively low levels of solvent degradation, demonstrating that zinc phosphate with a three-dimensional framework can be synthesized by in situ generation of an appropriate template using an unstable DES at high temperatures (150–200 °C).     

Optical properties of doped bismuth telluride crystals in the region of plasma effects

The optical properties of bismuth telluride crystals doped with donor-and acceptor-type impurities are studied. The fact that energy corresponding to the resonance frequency of plasma oscillations of free charge carriers (plasmons) approaches the band-gap energy is detected in the infrared spectral region, where the main elementary excitations in the electronic system of these materials are observed. The mentioned approach of energies varies the intensity of electron-plasmon interaction, which affects the recombination processes in the materials widely used for the fabrication of thermoelectric energy converters.     

A novel MINLP-based representation of the original complex model for predicting gasoline emissions

The Environmental Protection Agency (EPA) introduced Reformulated Gasoline (RFG) requirements as a measure to reduce emissions from gasoline-powered vehicles in certain geographic areas. As part of this effort, the EPA developed empirical models for predicting emissions as a function of gasoline properties and established statutory baseline emissions from a representative set of gasolines. All reformulated gasoline requires certification via this model, known as the Complex Model, and all refiners and importers calculate emissions performance reductions from the statutory baseline gasoline. The current representation of the Complex Model is extremely difficult to implement within refinery operations models or to use in combination with models for designer gasoline. RFG and boutique fuels are key driving forces in the North American refining industry.The RFG models introduce increasingly complex constraints with the major limitation that they are implicitly defined through a series of complicated disjunctions assembled by the EPA in the form of spreadsheets. This implicit and cumbersome representation of the emissions predictive models renders rigorous optimization and sensitivity analysis very difficult to address directly. In this paper, we discuss how the federal government requirements for reformulated gasoline can be restated as a set of mixed-integer nonlinear programming (MINLP) constraints with the aid of disjunctive programming techniques. We illustrate the use of this model with two simple example fuel blending problems.     

Analysis of Multiphase Flow and Heat Transfer: Pressure Buildup in an Unsaturated Porous Slab Exposed to Hot Gas

This study develops a mathematical model for coupled heat and mass transfer in an unsaturated porous slab exposed to a flowing hot gas. Effects of the initial saturation conditions on associated variables, i.e., total pressure, temperature, moisture content, and multiphase flow, are studied. The Newton-Raphson method based on a finite volume technique is applied. This study emphasizes the influence of initial saturation level and gravitational effect in heat and multiphase flow phenomena associated with this system. Gravity enhances the downward flow of liquid within the porous slab. Pressure buildup occurs near the interface between the wet and the dry zone. However, it appears that the order of magnitude to the total pressure is small. This study explains the fundamental mechanism of multiphase flow that involves heat and mass transfer in a heated unsaturated porous slab.     

Stability of hydrogenated nanodiamonds under extreme ultraviolet irradiation

It is generally accepted that diamond is resistant to a wide spectrum of electromagnetic radiation from the ultraviolet through to the soft X-ray range, which makes it very attractive for the fabrication of diamond-based photodetectors. However the effect of photon radiation on the diamond structure has not yet been examined. In the work presented here, photoelectron spectroscopy has been used to study the graphitization of nanodiamond crystallites exposed to extreme ultraviolet radiation. Under such irradiation, the surface hydrogen groups and graphite species are found to prevent graphitization. The mechanism of radiation-induced nanodiamond graphitization is discussed.     

Studies on adsorption equilibrium of xylenes in AEL framework using biased GCMC and energy minimization

The adsorption of xylene isomers in AlPO₄-11 (AEL network) was investigated using biased grand canonical Monte Carlo (GCMC) simulations. Preferential o-xylene adsorption was predicted by the simulations, in agreement with previously reported experimental data. In AlPO₄-11 the selective adsorption behavior comes from the smaller length of the o-xylene molecule along the crystallographic c-axis compared to p-xylene. This is in contrast to AlPO₄-5 and AlPO₄-8, where the ortho-selectivity is caused by the characteristic face-to-face positioning of o-xylene. Energy minimization studies were also performed in a flexible AlPO₄-11 lattice to study the structural changes upon xylene adsorption. The energy minimization study showed that the AlPO₄-11 crystal distorts upon p- and o-xylene adsorption. The distortion mechanism is related to the strong interaction between xylene methyl groups and the sieve oxygen atoms in the O3 position in the wide region of the pore.     

Molecular weight effect on the obtainment of parallel and perpendicular orientation in thermotropic poly(diethylene glycol <Emphasis Type="Italic">p,p′</Emphasis>-bibenzoate)

Summary The effect of molecular weight on the uniaxial orientation process has been analyzed in two samples of thermotropic poly(diethylene glycol p,p′-bibenzoate), evaluating the influence of that parameter on the type of orientation obtained. Several strain rates and deformation temperatures have been tested in order to map out the conditions for obtaining the two different kinds of orientation. The results show that in the lower molecular weight PDEB sample (M_w=31200) it is rather easy to get exclusively perpendicular “anomalous” orientation, with the molecular axes aligned transversely to the stretching direction. However, it is extremely difficult to obtain 100% parallel “normal” orientation. On the contrary, either type of orientation or a mixture of them can be easily developed for the higher molecular weight PDEB sample (M_w=102900).     

X-ray topography studies of dislocations in single crystal CVD diamond

X-ray topography has been used to study single crystal diamond samples homoepitaxially grown by microwave plasma-assisted chemical vapour deposition (CVD) on high pressure high temperature (HPHT) and CVD synthetic diamond substrates. Clusters of dislocations in the CVD diamond layers emanated from points at or near the interface with the substrate. The Burgers vectors of observed dislocations have been determined from sets of {111} projection topographs. Dislocations have line directions close to the [001] growth direction and are either edge or 45° mixed dislocations. Where groups of dislocations originated at isolated points they tended to be of the edge variety. Where the substrate surface was deliberately damaged before growth, two sets of dislocations were observed to have propagated from each line of damage and there was a tendency for dislocations to be of the 45° mixed variety with a component of their Burgers vector parallel to the polishing direction. It is demonstrated that X-ray topography can be used to deduce the growth history of CVD synthetic diamond samples produced in multiple growth stages.     

3D velocity from 3D Doppler radial velocity

We present local least squares and regularization frameworks for computing 3D velocity (3D optical flow) from 3D radial velocity measured by a Doppler radar. We demonstrate the performance of our algorithms quantitatively on synthetic radial velocity data and qualitatively on real radial velocity data, obtained from the Doppler radar at Kurnell Radar station, Botany Bay, New South Wales, Australia. Radial velocity can be used to predict the future positions of storms in sequences of Doppler radar datasets.© 2005 Wiley Periodicals, Inc. Int J Imaging Syst Technol, 15, 189–198, 2005     

An efficient electron-beam-pumped semiconductor laser for the green spectral range based on II–VI multilayer nanostructures

Emission characteristics of an electron-beam-pumped Cd(Zn)Se/ZnMgSSe semiconductor laser are studied. The laser’s active region consists of a set of ten equidistant ZnSe quantum wells containing fractional-monolayer CdSe quantum-dot inserts and a waveguide formed by a short-period superlattice with the net thickness of ～0.65 μm. Lasing occurs at room temperature at a wavelength of 542 nm. Pulsed power as high as 12 W per cavity face and an unprecedentedly high efficiency of ～8.5% are attained for the electron-beam energy of 23 keV.