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This study focuses on the automatic generation by the software EXGAS of kinetic models for the oxidation of large methyl esters using a single set of kinetic parameters. The obtained models allow to well reproduce the oxidation of n-decane…

This paper presents a modeling study of the oxidation of cyclohexane from low to intermediate temperature (650-1050 K), including the negative temperature coefficient (NTC) zone. A detailed kinetic mechanism has been developed using…

The thermal decomposition of n-dodecane, a component of some jet fuels, has been studied in a jet-stirred reactor at temperatures from 793 to 1093 K, for residence times between 1 and 5 s and at atmospheric pressure. Thermal decomposition…

This paper describes how automatically generated detailed kinetic mechanisms are obtained for the oxidation of alkanes and how these models could lead to a better understanding of autoignition and cool flame risks at elevated conditions.…

Crystallization of alkane mixtures has been studied extensively for decades. However, majority of the available data consider the behaviour of alkanes with chain length of 21 C-atoms or more. Furthermore, important information about the…

材料科学 · 物理学 2023-12-13 Diana Cholakova , Martin Pantov , Slavka Tcholakova , Nikolai Denkov

Ignition delay times of cyclohexane-oxygen-argon and cyclopentane-oxygen-argon mixtures have been measured in a shock tube, the onset of ignition being detected by OH radical emission. Mixtures contained 0.5 or 1 % of hydrocarbon for…

Autoignition delay times have been measured in a rapid compression machine at Lille at temperatures after compression from 630 to 840 K, pressures from 8 to 14 bar, \Phi = 1 and for a iso octane/1 hexene mixture containing 82% iso-octane…

The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper described a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene).…

This paper presents an approch for modeling with one single kinetic mechanism the chemistry of the autoignition and combustion processes inside an internal combustion engine, as well as the chemical kinetics governing the post-oxidation of…

化学物理 · 物理学 2009-03-24 Jörg Anderlohr , Roda Bounaceur , A. Pires Da Cruz , Frédérique Battin-Leclerc

The melting transition in solid monolayers of a series of short-chained n-alkanes, n-octane (n-C8H18), n-decane (n-C10H22), and n-dodecane (n-C12H26) physisorbed onto the graphite basal plane are studied through use of molecular dynamics…

材料科学 · 物理学 2015-06-25 Cary Pint

In the context of the search for gasoline surrogates for kinetic modeling purpose, this paper describes a new model for the low-temperature auto-ignition of n-heptane/iso-octane/hexene/toluene blends for the different linear isomers of…

This paper describes an experimental and modeling study of the oxidation of the three isomers of xylene (ortho-, meta- and para-xylenes). For each compound, ignition delay times of hydrocarbon-oxygen-argon mixtures with fuel equivalence…

The thermochemistry of linear and branched alkanes with up to eight carbons has been reexamined by means of W4, W3.2lite and W1h theories. `Quasi-W4' atomization energies have been obtained via isodesmic and hypohomodesmotic reactions. Our…

化学物理 · 物理学 2010-08-26 Amir Karton , David Gruzman , Jan M. L. Martin

This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition…

化学物理 · 物理学 2009-03-26 Jörg Anderlohr , A. Pires Da Cruz , Roda Bounaceur , Frédérique Battin-Leclerc

Dehydrogenation of alkanes is of increasing importance in fulfilling global demand for olefins and offers a potential source of carbon-neutral hydrogen as a co-product. Currently commercial dehydrogenation processes occur at…

材料科学 · 物理学 2022-07-28 Mungo Frost , Emma E. McBride , Dean Smith , Jesse S. Smith , Siegfried Glenzer

The last years saw a renewal of interest for hypersonic research in general and regenerative cooling specifically, with a large increase of the number of dedicated facilities and technical studies. In order to quantify the heat transfer in…

Autoignition delay experiments were performed for n-butanol in a heated rapid compression machine. Experiments were performed at pressures of 15 and 30 bar, in the temperature range 650-900 K, and for equivalence ratios of 0.5, 1.0, and…

化学物理 · 物理学 2017-06-12 Bryan W. Weber

Detailed understanding of the ionization process in noble liquid detectors is important for their use in applications such as the search for dark matter and coherent elastic neutrino-nucleus scattering. The response of noble liquid…

Experiments and numerical simulations were carried out in order to contribute to a better understanding and prediction of high-pressure injection into a gaseous environment. Specifically, the focus was put on the phase separation processes…

Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane…

流体动力学 · 物理学 2022-02-15 Shan Jin , Chao Xu , Hongtao Zheng , Huangwei Zhang
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