Synthesis of fish scale derived hydroxyapatite silica propyl bis aminoethoxy ethane cuprous complex (HASPBAEECC) as a novel hybrid nano-catalyst for highly efficient synthesis of new benzimidazole-1,2,3-triazole hybrid analogues as antifungal agents

Molecular Diversity - The preparation, characterization and application of hydroxyapatite silica propyl bis aminoethoxy ethane cuprous complex (HASPBAEECC) as a novel hybrid nano-catalyst for...     

Cobalt promoted Ni/MgAl2O4 catalyst in lean methane catalytic oxidation

In the present research, magnesium aluminate spinel was prepared as catalyst support using a novel, facile, and efficient mechanochemical method. The Co-promoted catalysts with 20 wt.% of Ni were fabricated using an impregnation route and the samples were analyzed by the X-ray diffraction (XRD), N₂ adsorption/desorption (BET), temperature-programmed reduction and desorption (H₂-TPR and O₂-TPD), and field emission scanning electron microscopy (FESEM) tests. The results confirmed that all samples have a mesoporous structure with a high specific surface area and the presence of cobalt caused complete CH₄ oxidation at low temperatures, and no side reactions were observed. The results indicated that the 3%Co-20%Ni/MgAl₂O₄ catalyst was the optimal sample among the prepared catalysts, owing to the improvement of reduction features and oxygen mobility. The 50 and 90% of methane conversion was obtained at 530 and 600 °C, respectively. Also, the influence of calcination temperature, GHSV, and feed ratio was determined on the catalytic activity. The obtained outcomes revealed that the calcination temperature has a significant effect on the textural properties and catalytic efficiency. The sample calcined at 700 °C showed the weakest performance, which was related to the sintering of particles at high temperatures. The catalytic stability showed that the 3%Co-20%Ni/MgAl₂O₄ has acceptable stability during 600 min time of reaction.

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Incorporation of silica nanoparticles and polyurethane into hybrid composites for increase of char residue

Journal of Thermal Analysis and Calorimetry - Effect of different chain extenders, silica nanoparticle loading, and using sol–gel method on the thermal properties of polyurethane (PU) hybrid...     

Life-cycle assessment (LCA) and techno-economic analysis of a biomass-based biorefinery

Journal of Thermal Analysis and Calorimetry - In this research, a biorefinery plant is proposed to generate biofuel through fast pyrolysis and gasification. The proposed biorefinery comprises...     

Designing spirobifullerene core based three-dimensional cross shape acceptor materials with promising photovoltaic properties for high-efficiency organic solar cells

The development of organic electron acceptor materials is one of the key factors for realizing high-performance organic solar cells (OSCs). Nonfullerene electron acceptors, compared to traditional fullerene acceptor materials, have gained much impetus owing to their better optoelectronic tunabilities and lower cost, as well as higher stability. Therefore, 5 three-dimensional (3D) cross-shaped acceptor materials having a spirobifullerene core flanked with 2,1,3-benzothiadiazole are designed from a recently synthesized highly efficient acceptor molecule SF(BR) ₄ and are investigated in detail with regard to their use as acceptor molecules in OSCs. The density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed for the estimation of frontier molecular orbital (FMO) analysis, density of states analysis, reorganization energies of electron and hole, dipole moment, open-circuit voltage, photo-physical characteristics, and transition density matrix analysis. In addition, the structure-property relationship is studied, and the influence of end-capped acceptor modifications on photovoltaic, photo-physical, and electronic properties of newly selected molecules ( H1-H5 ) is calculated and compared with reference ( R ) acceptor molecule SF(BR) ₄ . The structural tailoring at terminals was found to effectively tune the FMO band gap, energy levels, absorption spectra, open-circuit voltage, reorganization energy, and binding energy value in selected molecules H1 to H5 . The 3D cross-shaped molecules H1 to H5 suppress the intermolecular aggregation in PTB7-Th blend, which leads to high efficiency of acceptor material H1 to H5 in OSCs. Consequently, better optoelectronic properties are achieved from designed molecules H1 to H5 . It is proposed that the conceptualized molecules are superior than highly efficient spirobifullerene core-based SF(BR) ₄ acceptor molecules and, thus, are recommended to experiments for future developments of highly efficient solar cells.     

Synthesis and analysis of transformer-isolated converters

A systematic and straightforward procedure is developed for the synthesis and analysis of transformer-isolated power converters. The procedure can be used to determine the ranges of duty-ratio over which the transformer-isolated power converters of a given class can be operated without transformer saturation. The procedure can also be used to study the dependence of the power converter switch stresses on duty-ratios. This information is useful in the selection of the transformer-isolated power converter most suitable for a given application and in the design of this power converter with minimum switch stresses, high power density, and low cost     

Numerical solution of the three‐dimensional parabolic equation with an integral condition

Developement of numerical methods for obtaining approximate solutions to the three dimensional diffusion equation with an integral condition will be carried out. The numerical techniques discussed are based on the fully explicit (1,7) finite difference technique and the fully implicit (7,1) finite difference method and the (7,7) Crank‐Nicolson type finite difference formula. The new developed methods are tested on a problem. Truncation error analysis and numerical examples are used to illustrate the accuracy of the new algorithms. The results of numerical testing show that the numerical methods based on the finite difference techniques discussed in the present article produce good results. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 18: 193–202, 2002; DOI 10.1002/num.1040