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191.
Beatriz Miranda Eva Díaz Salvador Ordez Fernando V. Díez 《Catalysis communications》2006,7(12):945-949
The performance of 0.5% Ru/Al2O3 for the deep oxidation of trichloroethene (1000–2500 ppmV, WHSV = 55 h−1) in air was studied in this work. Experiments were carried out both at dry and wet (20,000 ppmV of H2O) conditions. Catalytic performance was studied in terms of activity and selectivity for the different reaction products (CO2, HCl, Cl2, C2Cl4, CCl4 and CHCl3). Both the activity and the selectivity for total combustion are higher than other catalysts suggested in the literature for this process (especially Pd and Pt).The main organic by-products are CCl4 and CHCl3, whereas in all the other catalysts tested in the literature, tetrachloroethene is the main organic by-product. This fact suggests that the mechanism of the combustion reaction, involving a double-bond scission, is essentially specific for this catalyst.Kinetic data was fit to a pseudo-first order kinetic expression, providing fairly good fit. 相似文献
192.
Polyamide 6 (PA6) isotropic films and oriented cables were prepared by compression molding or by consecutive extrusion and cold‐drawing. These samples were isothermally annealed in the 120–200°C range and were then subjected to tensile tests at room temperature. Synchrotron wide‐angle X‐ray scattering (WAXS) and small‐angle X‐ray scattering (SAXS) patterns were obtained before and after mechanical failure. These data were related with the mechanical properties of the respective PA6 samples. The annealing of isotropic PA6 resulted in an increase in the Young's modulus (E) and yield stress (σy) values, which was attributed to the observed proportional reduction of the d‐spacings of the intersheet distances in both the α‐PA6 and γ‐PA6 polymorphs. Analysis of the WAXS and SAXS patterns of isotropic PA6 after break allowed the supposition of structural changes in the amorphous phase, with these being better pronounced with increasing annealing temperature; this made the samples less ductile. In oriented PA6 samples, annealing resulted in a drastic increase in the E and σy values accompanied by a phase transition from γ‐PA6 to α‐PA6 and a well‐pronounced reduction in the intersheet distances of both polymorphs. The stretching of the oriented samples led to an additional γ‐to‐α transition, whose extent was also related to structural changes in the amorphous phase. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 2242–2252, 2007 相似文献
193.
Cecilia R. Lederhos Pablo C. L’Argentière Fernando Coloma-Pascual Nora S. Fígoli 《Catalysis Letters》2006,110(1-2):23-28
The 1-heptyne selective hydrogenation carried out at 150 kPa, and at 283 and 303 K using Ru/Al2O3 and Ru/C as catalysts, was studied. Catalysts were prepared by the incipient wetness impregnation technique using RuCl3 as precursor. Ru/Al2O3 was treated in hydrogen at 373 or 573 K and Ru/C only at the last temperature. Catalysts were characterized by hydrogen chemisorption,
TPR and XPS. Ru dispersion after treatment in hydrogen at the highest temperature is similar for both catalysts. Ru is present
as Ru0 in Ru/C, while Ru0 and Ru electron-deficient species are present on the catalysts surface after hydrogen treatment at the two temperatures using
Al2O3 as support. The best catalytic behavior was observed for the highest temperature of hydrogen treatment and for 303 K reaction
temperature. As a consequence of a shape selectivity effect of the C support, the best conversion is obtained with the alumina
supported catalyst. 相似文献
194.
An optimization strategy has been applied to describe the chemical composition at the furnace bottom in the Kraft recovery boiler of a pulp production process. The concentrations of each involved chemical species were calculated through an optimization approach, minimizing the Gibbs free energy of the system. Various systems were proposed and tested, assuming different chemical species and phases number. Because serious initialization problems were found at this stage for some of the proposed systems, an optimization heuristic method (PSO) was used for the first approach to the problem. Once the appropriate phases number and chemical species in the system were determined, the initialization problems disappeared and the use of a deterministic optimization method (SQP) became viable. The proposed approach has shown to be satisfactory to reproduce industrial data and also data reported in the open scientific literature. 相似文献
195.
Allemann C Gordillo R Clemente FR Cheong PH Houk KN 《Accounts of chemical research》2004,37(8):558-569
Computational studies have led to models to understand some classic and contemporary asymmetric reactions involving organocatalysts. The Hajos-Parrish-Eder-Sauer-Wiechert reaction and intermolecular aldol reactions as well as Mannich reactions and oxyaminations catalyzed by proline and other amino acids, and Diels-Alder reactions catalyzed by MacMillan's chiral amine organocatalysts have been studied with density functional theory. Quantitative predictions for several new catalysts and reactions are provided. 相似文献
196.
Maria Helena de Oliveira Nunes Victor Teixeira da Silva Martin Schmal 《Catalysis Letters》2004,97(1-2):1-8
There is a high industrial demand for MMA and DMA, however, the production of TMA is favored with the commercial catalysts. This work tested the methanol amination reaction with HZSM-5 and Cu/HZSM-5 zeolites (%Cu = 1.2, 3.7 and 6.0). Regarding the MMA selectivity, light differences were observed among Cu/HZSM-5 catalysts and pure zeolite, although the catalysts containing 3.7% copper was slightly more selective to MMA than the other metallic catalysts studied. From these results it is suggested that the metal loading present in the catalysts leads to a modification in the nature of the acidic sites, in particular, the selectivity depends on ratio Brönsted/Lewis acid sites. This modifications would facilitate the amines desorption during the reaction. 相似文献
197.
In this work diamond-like carbon films were deposited on the Ti–6Al–4V alloy, which has been used in aeronautics and biomedical fields, by electrical discharges using a magnetron cathode and a 99.999% graphite target in two different atmospheres, the first one constituted by argon and hydrogen and the second one by argon and methane. Films deposited using the argon/hydrogen mixture were called a-C:H, while films deposited using the argon/methane mixture were called DLC. Raman spectroscopy was used to study the structure of the films. The Raman spectra profile of the a-C:H films is quite different from that of the DLC films. The disorder degree of the graphite crystalline phase in a-C:H films is higher than in DLC films (a-C:H films present small values for the the ID/IG ratio). Potentiodynamic corrosion tests in 0.5 mol l−1 NaCl aqueous solution, pH 5.8, at room temperature (≈25 °C) were carried out as for the a-C:H as for the DLC coated surfaces. Comparison between the corrosion parameters of a-C:H and DLC coated surfaces under similar deposition time, showed that DLC coated surfaces present bigger corrosion potential (Ecorr) and polarization resistance than those coated with a-C:H films. Electrochemical impedance spectroscopy (EIS) was also used to study the electrochemical behavior of a-C:H and DLC coated surfaces exposed to 0.5 mol l−1 aqueous solution. The EIS results were simulated with equivalent electrical circuit models for porous films. The results of these simulations showed similar tendency to the one observed in the potentiodynamic corrosion tests. The DLC film resistance and the charge transfer resistance (Rct) for the DLC coated surface/electrolyte interface were bigger than the ones determined for the a-C:H coated surfaces. 相似文献
198.
Cláudio de Almeida Filho 《Carbon》2006,44(14):2869-2876
Disordered carbon materials with high porosity were prepared through the pyrolysis of TiO2/poly(furfuryl alcohol) composites, obtained by the sol-gel method. The composites were prepared starting from titanium tetra-isopropoxide (TTIP) and furfuryl alcohol (FA) as precursors. Two different synthetic procedures for our composites were carried out, based on the addition of furfuryl alcohol (FA) before or after the TiO2 nanoparticles formation. Also, different TTIP/FA ratio was tested. The hybrid materials obtained by both synthetic routes were pyrolyzed, under argon flow, at 900 °C producing novel TiO2/carbon composites. All samples were characterized by XRD, FT-IR, DR-FTIR, Raman spectroscopy and TEM. Results indicated the effective FA polymerization on TiO2 (anatase) nanoparticles, and polymer conversion to disordered carbon after the pyrolysis, simultaneously with TiO2 anatase-rutile phase transition. The resulting TiO2/carbon composites were treated with HF solution aiming the oxide dissolution, yielding an extremely porous carbon material as insoluble fraction. The morphology of these porous carbon materials is strongly dependent on the synthetic route adopted for the composite precursor, varying from carbon foam to highly ordered hollow microspheres. 相似文献
199.
M. I. Viseu C. A. Nieto de Castro S. M. B. Costa 《International Journal of Thermophysics》1991,12(2):323-331
Diffusion coefficients of the electron acceptor dye tetrazolium blue were measured by the Taylor dispersion method, with an accuracy better than 4%, in two solvents: (i) a homogeneous one-aqueous phosphate buffer, 0.1 M, pH=7.0 (medium I); and (ii) a heterogeneous one-nonionic micelles of Triton X-100, 2.0 mM (where M stands for mol·dm–3), in the same aqueous phosphate buffer (medium II). The values obtained were D
12
I
=3.64×10–10m2·s–1 and D
12
II
=3.01×10–10m2·s–1·D
12
II
has the meaning of a macroscopird or average diffusion coefficient, in which the partition coefficient of tetrazolium blue between micelles and water, as well as the diffusion coefficients of this dye and of the micelles in the aqueous phase, are involved. 相似文献
200.
Ciesielczyk Tomasz Cabrera Alberto Oleksiak Ariel Piątek Wojciech Waligóra Grzegorz Almeida Francisco Blanco Vicente 《Journal of Scheduling》2021,24(5):489-505
Journal of Scheduling - Rapid growth of demand for remote computational power, along with high energy costs and infrastructure limits, has led to treating power usage as a primary constraint in... 相似文献