Experimental and modeling study of the oxidation of xylenes

Battin‐Leclerc, Frédérique; Bounaceur, Roda; Belmekki, Najib; Glaude, Pierre‐Alexandre

doi:10.1002/kin.20160

Cited by 92 publications

(97 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The team of Orléans has published mechanisms for the oxidation of para-xylene [267], meta-xylene [268] and n-propylbenzene [269] validated at temperatures from 900 K using their data obtained in a jet-stirred reactor. Mechanisms for the three isomers of xylenes were also proposed by the team of Nancy [270] and were able to well reproduce the difference of reactivity between these three compounds measured by the team of Brezinsky in a flow tube below 1200 K [271][272], as shown in figure 27. These models did not contain low temperature reactions involving isomerizations of peroxy radicals.…”

Section: 2/ Detailed Chemical Models Of Oxidationmentioning

confidence: 65%

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Battin‐Leclerc

2008

Progress in Energy and Combustion Science

Self Cite

575

379

View full text Add to dashboard Cite

show abstract

Section: 2/ Detailed Chemical Models Of Oxidationmentioning

confidence: 65%

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Battin‐Leclerc

2008

Progress in Energy and Combustion Science

Self Cite

575

379

View full text Add to dashboard Cite

show abstract

“…Battin-Leclerc et al [7] measured ignition delay times of xylenes in a shock tube and proposed a reaction scheme to reproduce the experimental results. Gail and Dagaut [8] studied oxidation of p-xylene (1,4-dimethylbenzene) and m-xylene (1,3-dimethylbenzene) in a Jet Stirred Reactor (JSR) at atmospheric pressure.…”

Section: Introductionmentioning

confidence: 92%

A consistent chemical mechanism for oxidation of substituted aromatic species

Narayanaswamy

Blanquart

Pitsch

2010

Combustion and Flame

311

225

View full text Add to dashboard Cite

“…Battin-Leclerc et al 2006;Bounaceur et al 2007;Anderlohr et al 2010;Bounaceur et al 2010;Wang et al 2010). Obviously, it is not possible to describe all these validations in detail, but we can mention, for instance, the very recent work of Dirrenberger et al (2011) who has studied the laminar burning velocity of several mixtures including air, hydrogen, and components of natural gas experimentally and modeled it with success.…”

Section: -C 2 Reaction Basementioning

confidence: 99%

A chemical model for the atmosphere of hot Jupiters

Venot

Hébrard

Agúndez

et al. 2012

A&A

Self Cite

228

560

View full text Add to dashboard Cite

Context. The atmosphere of hot Jupiters can be probed by primary transit and secondary eclipse spectroscopy. Owing to the intense UV irradiation, mixing, and circulation, their chemical composition is maintained out of equilibrium and must be modeled with kinetic models. Aims. Our purpose is to release a chemical network and the associated rate coefficients, developed for the temperature and pressure range relevant to hot Jupiters atmospheres. Using this network, we study the vertical atmospheric composition of the two hot Jupiters (HD 209458b and HD 189733b) with a model that includes photolyses and vertical mixing, and we produce synthetic spectra. Methods. The chemical scheme has been derived from applied combustion models that were methodically validated over a range of temperatures and pressures typical of the atmospheric layers influencing the observations of hot Jupiters. We compared the predictions obtained from this scheme with equilibrium calculations, with different schemes available in the literature that contain N-bearing species, and with previously published photochemical models. Results. Compared to other chemical schemes that were not subjected to the same systematic validation, we find significant differences whenever nonequilibrium processes take place (photodissociations or vertical mixing). The deviations from the equilibrium, hence the sensitivity to the network, are larger for HD 189733b, since we assume a cooler atmosphere than for HD 209458b. We found that the abundances of NH 3 and HCN can vary by two orders of magnitude depending on the network, demonstrating the importance of comprehensive experimental validation. A spectral feature of NH 3 at 10.5 μm is sensitive to these abundance variations and thus to the chemical scheme.Conclusions. Due to the influence of the kinetics, we recommend using a validated scheme to model the chemistry of exoplanet atmospheres. The network we release is robust for temperatures within 300-2500 K and pressures from 10 mbar up to a few hundred bars, for species made of C, H, O, and N. It is validated for species up to 2 carbon atoms and for the main nitrogen species (NH 3 , HCN, N 2 , NO x ). Although the influence of the kinetic scheme on the hot Jupiters spectra remains within the current observational error bars (with the exception of NH 3 ), it will become more important for atmospheres that are cooler or subjected to higher UV fluxes, because they depart more from equilibrium.

show abstract

Experimental and modeling study of the oxidation of xylenes

Cited by 92 publications

References 42 publications

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

A consistent chemical mechanism for oxidation of substituted aromatic species

A chemical model for the atmosphere of hot Jupiters

Contact Info

Product

Resources

About