Account for variations in the H2O to CO2 molar ratio when modelling gaseous radiative heat transfer with the weighted-sum-of-grey-gases model

This work focuses on models suitable for taking into account the spectral properties of combustion gases in computationally demanding applications, such as computational fluid dynamics. One such model, which is often applied in combustion modelling, is the weighted-sum-of-grey-gases (WSGG) model. The standard formulation of this model uses parameters fitted to a wide range of temperatures, but only for specific ratios of H₂O to CO₂. Then, the model is limited to gases from fuels with a given composition of hydrogen and carbon, unless several sets of fitted parameters are used. Here, the WSGG model is modified to account for various ratios of H₂O to CO₂ concentrations. The range of molar ratios covers both oxy-fuel combustion of coal, with dry- or wet flue gas recycling, as well as combustion of natural gas. The non-grey formulation of the modified WSGG model is tested by comparing predictions of the radiative source term and wall fluxes in a gaseous domain between two infinite plates with predictions by a statistical narrow-band model. Two grey approximations are also included in the comparison, since such models are frequently used for calculation of gas radiation in comprehensive combustion computations. It is shown that the modified WSGG model significantly improves the estimation of the radiative source term compared to the grey models, while the accuracy of wall fluxes is similar to that of the grey models or better.     

Optimization of Root Section for Ultra-long Steam Turbine Rotor Blade

This study presents the comparison of aerodynamic performances of two successive designs of the root profiles for the ultra-long rotor blade equipped with a straight fir-tree dovetail. Since aerodynamic and strength requirements laid upon the root section design are contradictory, it is necessary to aerodynamically optimize the design within the limits given by the foremost strength requirements. The most limiting criterion of the static strength is the size of the blade cross-section, which is determined by the number of blades in a rotor and also by the shape and size of a blade dovetail. The aerodynamic design requires mainly the zero incidence angle at the inlet of a profile and in the ideal case ensures that the load does not exceed a limit load condition. Moreover, the typical root profile cascades are transonic with supersonic exit Mach number, therefore, the shape of a suction side and a trailing edge has to respect transonic expansion of a working gas. In this paper, the two variants of root section profile cascades are compared and the aerodynamic qualities of both variants are verified using CFD simulation and two mutually independent experimental methods of measurements (optical and pneumatic).     

Hydrogen gas sensing properties of WO3 sputter-deposited thin films enhanced by on-top deposited CuO nanoclusters

Magnetron-based gas aggregation cluster source (GAS) was used to prepare high-purity CuO (cupric oxide) nanoclusters on top of sputter-deposited thin film of tungsten trioxide (WO₃). The material was assembled as a conductometric hydrogen gas sensor and its response was tested and evaluated. It is demonstrated that addition of CuO clusters noticeably enhances the sensitivity of the pure WO₃ thin film. With an increasing amount of CuO clusters the sensitivity of CuO/WO₃ system rises further. When CuO clusters form a sufficiently thick and compact layer, the resistance response is reversed. Based on the sensorial behavior, conventional and near-ambient pressure X-Ray photoemission spectroscopies, and resistivity measurements, we propose that the sensing mechanism is based on the formation of nano-sized p-n junctions in between p-type CuO and n-type WO₃. The advantages of the GAS technique for preparing sensorial and/or catalytically active materials are emphasized.     

Drying of shiitake mushrooms in a vacuum dryer and optimization of the process by response surface methodology (RSM)

Optimization of shiitake mushroom vacuum drying process was the objective of this research. In order to produce dried sample with satisfactory shelf life, response surface methodology was used. Vacuum drying used to accomplish the task was previously described by the authors. The samples were dried at 46–74 °C and 20–580 mbar. As quality indicators of dried product, total solids, water activity, total phenolics, IC₅₀ and total color change were used. Response surface methodology resulted in optimal conditions of 57.1 °C and 100 mbar. In order to verify predictions and adequacy of the second-order polynomial models, separate validation experiments were conducted at optimum conditions. The predicted amount of total solids was 85.40 %, while a_w value was 0.615.     

Metal-Coated Fullerenes C60Mn: Calculations for M = Be,Mg, Al AND n = 12, 20, 32

Abstract

Semiempirical quantum-chemical PM3 calculations are reported for a relatively new class of exohedral metallo-fullerenes - metal-coated or metal-covered fullerenes: C₆₀M_n. The exohedral species were recently observed, however, their geometrical and electronic structure is not known yet. In this paper, relatively-even metal-atom distributions over the fullerene rings are considered - such regular forms are computed for M= Be, Mg, Al. Three selected stoichiometrics are treated: C₆₀M₁₂, C₆₀M₂₀, and C₆₀M₃₂. The stoichiometrics correspond to the location of the metal atoms above the twelve pentagons, above the twenty hexagons, and above each of the thirty two rings of C₆₀ This interesting arrangement over the rings is possible only for some types of atoms, while other elements are localized above bonds or atoms, or inside the cage, or even react and destroy the cage. Other limitation comes from the parametrization of the computational methods - the computations are performed with the PM3 semiempirical method and metal-layer atomization heats are used as a stability measure. Structural characteristics are presented, too. Considerable reductions of the cage symmetry are reported and their relationships to Jahn-Teller effect are discussed, too (no case of the icosahedral symmetry is found).     

Computations of Low-Energy Non-Icosahedral Structures of C6− 60

Abstract

Owing to the three-fold degeneracy of the LUMO in C₆₀, its hexa-anion is not subjected to Jahn-Teller distortions. In contrast to the accepted presumptions, however, computations at the MNDO, AMI, PM3, SAM1, HF/STO-3G, HF/3-21G, and HF/4-31G levels show that the completely relaxed, non-icosahedral cage of C^6? ₆₀is lower in energy. The computed energy gain varies between 60 and 150 kJ/mol and thus, it is consistently significant (the most sophisticated approach, HF/4-31G, yields 93 kJ/mol). The longest C-C bond in the relaxed structures is at most computed 0.05 Å longer compared to the 5/6 bond in the icosahedral C^6? ₆₀The symmetry of C^6? ₆₀is relaxed to D₂ A C_2v, isomer is discussed, too.     

Ionic Liquid-assisted Synthesis of Polyaniline/Gold Nanocomposite and Its Biocatalytic Application

In this report, a novel chemical synthesis of polyaniline/gold nanocomposite is explored using ionic liquid (IL) 1-Butyl-3-methylimidazolium hexafluorophosphate. The direct chemical synthesis of polyaniline/gold nanocomposite was initiated via the spontaneous oxidation of aniline by AuCl₄ ⁻ in IL. A nearly uniform dispersion of polyaniline/Au particles with a diameter of 450 ± 80 nm was produced by this method, which indicates that this method is more suitable for controlling particle dimensions. It was also found that the electrical conductivity of the polyaniline/gold nanocomposite was more than 100 times higher than that of the pure polyaniline nanoparticles. The polyaniline/gold nanocomposite displays superior function in the biocatalytic activation of microperoxidase-11 because of the high surface area of the assembly and the enhanced charge transport properties of the composite material. We also report the possible application of polyaniline/gold nanocomposite as a H₂O₂ biosensor.     

(<Emphasis Type="Italic">E,E</Emphasis>)-α-Farnesene,an Alarm Pheromone of the Termite <Emphasis Type="Italic">Prorhinotermes canalifrons</Emphasis>

The behavioral and electroantennographic responses of Prorhinotermes canalifrons to its soldier frontal gland secretion, and two separated major components of the secretion, (E)-1-nitropentadec-1-ene and (E,E)-α-farnesene, were studied in laboratory experiments. Behavioral experiments showed that both the frontal gland secretion and (E,E)-α-farnesene triggered alarm reactions in P. canalifrons, whereas (E)-1-nitropentadec-1-ene did not affect the behavior of termite groups. The alarm reactions were characterized by rapid walking of activated termites and efforts to alert and activate other members of the group. Behavioral responses to alarm pheromone differed between homogeneous and mixed groups, suggesting complex interactions. Antennae of both soldiers and pseudergates were sensitive to the frontal gland secretion and to (E,E)-α-farnesene, but soldiers showed stronger responses. The dose responses to (E,E)-α-farnesene were identical for both soldiers and pseudergates, suggesting that both castes use similar receptors to perceive (E,E)-α-farnesene. Our data confirm (E,E)-α-farnesene as an alarm pheromone of P. canalifrons.     

Aligned carbon nanotubes sandwiched in epitaxial NbC film for enhanced superconductivity

Highly aligned carbon nanotube (CNT) ribbons were sandwiched in epitaxial superconducting NbC films by a chemical solution deposition method. The incorporation of aligned long CNTs into NbC film enhances the normal-state conductivity and improves the superconducting properties of the assembly.