A noble method for molten carbonate fuel cells electrolyte manufacturing

An economic process for manufacturing of molten carbonate fuel cells was developed. This process consisted of fabricating the matrix by simply cutting it from a highly porous part with the geometry like an insulator brick, brush painting of the cathode layer followed by sintering and deposition of anode layer through thermal spray process. In order to manage the electrolyte content in the matrix and electrodes, coating of outer surfaces of the produced matrix with alumina slurry provided the required pores with small size at the interfaces with the electrodes. The polarization curves of the cells with alumina slurry coating and without it were not significantly different. The produced layer with small pores at the matrix outer surfaces caused the vaporization of the molten carbonate salt electrolyte to be reduced from 22.9% to 14.4% of initially infiltrated in salt weight content within 100 h of heat treating at 650 °C. This is at the same time to have the benefit of larger supply of electrolyte due to the application of highly porous matrix.     

One-Pot Synthesis of 3,4-Dihydropyrimidin-2(1H)-ones and Their Sulfur Derivatives with H2SO4 Supported on Silica Gel or Alumina

The one-pot condensation of aromatic aldehydes, β-dicarbonyl compounds, and urea or thiourea in the presence of H₂SO₄ supported on silica gel or alumina (80% m/m) in refluxing n-hexane produces 3,4-dihydropyrimidin-2(1H)-ones and their sulfur derivatives in high to excellent yields.     

New 5-bromo-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its mixed-ligand Cu(II) complex with imidazole: synthesis, characterization and DFT calculation

A new Schiff base ligand of 5-bromo-2-hydroxybenzaldehyde S-ethyl-isothiosemicarbazone (H₂L) was synthesized and its mixed-ligand Cu(II) complex was also prepared by reaction of Cu(NO₃)₂·3H₂O with H₂L and imidazole. Their structures were fully characterized by elemental analysis, FT-IR, molar conductivity and UV-Vis methods. The analytical data suggest that the metal, H₂L and imidazole ratios in the Schiff base complex are 1:1:1. Single crystal diffraction was also used to better understand the molecular structure of the Cu(II) complex. The results of physico-chemical analyses of the Schiff base complex reveal the coordination geometry around the central atom is square planar. The H₂L ligand (NNO donor) is coordinated to the metal center as a tridentate bionegatively agent. Another position of the square planar geometry is occupied by the imidazole ligand. Furthermore, computational studies of the new complex were performed by carrying out DFT calculations. Geometry optimization and natural band analysis of the complex is discussed in further detail.      

One-pot synthesis of 3,4-Dihydropyrimidin-2(1<Emphasis Type="Italic">H</Emphasis>)-ones (thiones) promoted by nano-BF<Subscript>3</Subscript>.SiO<Subscript>2</Subscript>

3,4-Dihydropyrimidin-2(1H)-ones and 3,4-dihydropyrimidin-2(1H)-thione were synthesized under solvent free condition in the presence of nano-silica supported boron trifluoride (nano-BF₃.SiO₂). The reactions were carried out at 80 °C for 15 min under solvent free condition. This methods have some advantages such as good to excellent yield, mild reaction condition, ease of operation and workup, short reaction time and high product purity.     

Protic ionic liquid [TMG][Ac] as an efficient,homogeneous and recyclable catalyst for Boc protection of amines

An efficient and practical protocol for the chemoselective N-Boc protection of various structurally different aryl, aliphatic and heterocyclic amines was carried out with (Boc)₂O using protic 1, 1, 3, 3-tetra-methylguanidinium acetate (10 mol%) as recyclable catalyst under solvent free condition at ambient temperature. No competitive side reactions (isocyanate, urea and N, N-di-Boc) were observed. α-Amino alcohols afforded the N-Boc-derivative without oxazolidinone formation.     

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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Preparation,characterization, and use of poly(vinylpyrrolidonium) hydrogen phosphate ([PVP-H]H2PO4) as a new heterogeneous catalyst for efficient synthesis of 2-amino-tetrahydro-4H-pyrans

Research on Chemical Intermediates - A novel Brønsted solid acid named poly(vinylpyrrolidonium) hydrogen phosphate ([PVP-H]H2PO4) has been prepared by using H3PO4 and poly(vinylpyrrolidone) as...     

Efficacy of incorporating PCMs into the commercial wall on the energy-saving annual thermal analysis

Journal of Thermal Analysis and Calorimetry - In this study, the efficacy of incorporating phase change material (PCM) into the building walls on the annual heat transfer reduction is examined....     

Develop dissipative particle dynamics method to study the fluid flow and heat transfer of Ar and O2 flows in the micro- and nanochannels with precise atomic arrangement versus molecular dynamics approach

Fluid atomic behavior is an important factor for industrial applications. Computer simulations based on simple models predict Poiseuille flow for these atomic structures with the presence of external force. In this work, we describe the dynamical properties of Ar and O₂ flows with precise atomic arrangement via dissipative particle dynamics (DPD) and molecular dynamics (MD) simulation approaches. In these methods, each model is represented by using Large-scale Atomic/Molecular Massively Parallel Simulator package. Simulation results show that maximum rate for velocity of Ar flow in platinum and copper microchannels is 0.100 (unit less)/0.091 Å ps^?1 and 0.121 (unit less)/0.105 Å ps^?1 by using DPD/MD approach. This atomic parameter changes to 0.111 (unit less)/0.102 Å ps^?1 and 0.125 (unit less)/0.108 Å ps^?1 for O₂ fluid with mentioned approaches. By decreasing the microchannel size, the maximum rate of velocity reaches to 0.101 (unit less)/0.099 Å ps^?1 and maximum temperature rate decreases to 485 (unit less)/440 K with DPD/MD approaches. These calculated parameters can be used in industrial application designing for some processes such as heat transfer in structures. It was seen that the developed DPD approach was able to simulate the fluid flow and heat transfer of various types of fluids at micro- and nanoscales with suitable accuracy versus MD.