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61.
Multi‐stage high order semi‐Lagrangian schemes for incompressible flows in Cartesian geometries
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Efficient transport algorithms are essential to the numerical resolution of incompressible fluid‐flow problems. Semi‐Lagrangian methods are widely used in grid based methods to achieve this aim. The accuracy of the interpolation strategy then determines the properties of the scheme. We introduce a simple multi‐stage procedure, which can easily be used to increase the order of accuracy of a code based on multilinear interpolations. This approach is an extension of a corrective algorithm introduced by Dupont & Liu (2003, 2007). This multi‐stage procedure can be easily implemented in existing parallel codes using a domain decomposition strategy, as the communication pattern is identical to that of the multilinear scheme. We show how a combination of a forward and backward error correction can provide a third‐order accurate scheme, thus significantly reducing diffusive effects while retaining a non‐dispersive leading error term. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
62.
The computation of rotational energy transfer in nonreactive molecular collisions requires expanding the orientation dependence
of the interaction potential over an appropriate complete set of orthonormal functions. We show that the use of random grids
for the sampling of the angular geometries combined with the Monte Carlo theorem allows to estimate the mean accuracy on each
expansion term determined by a least squares fit. The interest of our approach is illustrated by an application to the H2O–H2 system, of great astrophysical interest. 相似文献
63.
Suely L. Galdino Maria C. A. Lima Alexandre J. S. Góes Ivan R. Pitta Cuong Luu-Duc 《光谱学快报》2013,46(7-8):1013-1021
In the present investigation, a study of the electron impact mass spectrometry data is reported for seven compounds of a series of some 3-(4-chlorobenzyl)-5-benzylidene-imidazolidine-2, 4-diones and 3-(4-fluoro or chlorobenzyl)-5-benzylidene-thiazolidine-2, 4-diones previously synthesized. 相似文献
64.
In this paper we report a simple methodology for obtaining (+) trans - 1,2 - epoxylimonene (1b) in high purity (>99% HRGC) and reasonable quantity. The mixture of 1a and 1b in CH2Cl2 is stirred with 1M NaHSO3 in water. Under these conditions 1a is completely destroyed, while 1b is only partially destroyed. 相似文献
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Paula Avelar Amado Vany Ferraz Denise Brentan da Silva Carlos Alexandre Carollo Ana Hortência Fonsêca Castro 《Natural product research》2018,32(5):610-615
The antioxidant and cytotoxic activities of petroleum ether and methanol extracts, fatty acids and methyl esters from leaves of Smilax brasiliensis were evaluated, and the composition of the extracts was determined. Palmitic, linoleic and linolenic acids were major components of the extracts. For antioxidant activity, all samples exhibited IC50 values lower than BHT (2,6-di-tert-butyl-4-methylphenol). The extracts, fatty acids and methyl esters from S. brasiliensis presented no toxicity to larvae of the brine shrimp, Artemia salina. Among the purified substances, only methyl linolenate showed toxicity (LD50 = 21.47 μg/mL). This study showed, for the first time, the composition of petroleum ether and methanol extracts from S. brasiliensis leaves, as well as the antioxidant and cytotoxic activities of extracts, fatty acids and methyl esters. 相似文献
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Andrea Paesano Jr. Alexandre Christófaro Silva Flávio Francisco Ivashita Carla Fabiana Cerqueira Machado-Flavio Sives Flávio Sives Roberto Carlos Mercader José Domingos Fabris 《Hyperfine Interactions》2014,226(1-3):585-592
A peatland in Pinheiro, Diamantina City, Minas Gerais State - Brazil, was sampled at different depths of two profiles with diverse vegetation coverings (grassland field and bush) in order to collect materials that might reflect changes in the chemical states of iron over the peat formation coming from original minerals such as hematitic phyllite surrounding the boggy pedon. Samples collected were chemically, structurally and magnetically characterized. The results show that both series of peats are composed of organic matter and minerals such as quartz, kaolinite, gibbsite, rutile and muscovite. Deeper layers present only quartz. Mössbauer spectroscopy shows that iron is present in both electron states, Fe2+ and Fe3+, under both vegetations, each valence appearing in the spectra in the form of a discrete doublet. No hyperfine magnetic splitting was observed in any spectrum at room temperature. The Mössbauer subspectral area of Fe2+ tended to increase from the upper to deeper layers. Magnetic measurements reveal that the magnetic response of the surface samples is the highest, displaying a sharp decrease below 15 cm and that the magnetic signal is a superposition of (super)paramagnetic and ferrimagnetic contributions. Samples from the grassland field also show a diamagnetic component for the deeper layers. 相似文献
70.
Paulo Igor M. Firmino Raquel S. Farias Amanda N. Barros Patrícia G. C. Landim Gervina B. M. Holanda Elisa Rodríguez Alexandre C. Lopes André B. dos Santos 《Applied biochemistry and biotechnology》2018,184(4):1187-1199
As the addition of low concentrations of oxygen can favor the initial degradation of benzene, toluene, ethylbenzene, and xylenes (BTEX) compounds, this work verified the applicability of the microaerobic technology to enhance BTEX removal in an anaerobic bioreactor supplemented with high and low co-substrate (ethanol) concentrations. Additionally, structural alterations on the bioreactor microbiota were assessed throughout the experiment. The bioreactor was fed with a synthetic BTEX-contaminated water (~ 3 mg L?1 of each compound) and operated at a hydraulic retention time of 48 h. The addition of low concentrations of oxygen (1.0 mL min?1 of atmospheric air at 27 °C and 1 atm) assured high removal efficiencies (> 80%) for all compounds under microaerobic conditions. In fact, the applicability of this technology showed to be viable to enhance BTEX removal from contaminated waters, especially concerning benzene (with a 30% removal increase), which is a very recalcitrant compound under anaerobic conditions. However, high concentrations of ethanol adversely affected BTEX removal, especially benzene, under anaerobic and microaerobic conditions. Finally, although bacterial community richness decreased at low concentrations of ethanol, in general, the bioreactor microbiota could deal with the different operational conditions and preserved its functionality during the whole experiment. 相似文献