A wide range kinetic modeling study of pyrolysis and oxidation of benzene

Saggese, Chiara; Frassoldati, Alessio; Cuoci, Alberto; Faravelli, Tiziano; Ranzi, E.

doi:10.1016/j.combustflame.2013.02.013

Cited by 119 publications

(64 citation statements)

References 68 publications

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“…It was validated in relevant experimental conditions and it predicts PAH formation up to C 20 which is convenient for the soot formation modelling [21]. Main studies dealing with this chemical mechanism were conducted on benzene in pyrolysis, partial oxidation and combustion conditions [22], on cyclopentadiene pyrolysis with a focus on the PAH formation [23], on heavy n-alkanes (nC 7 H 16 , nC 10 H 22 , nC 12 H 22 , nC 16 H 34 ) in pyrolysis, partial oxidation and combustion conditions [16].…”

Section: Gas Phase Reactionsmentioning

confidence: 99%

Influence of H 2 O, CO 2 and O 2 addition on biomass gasification in entrained flow reactor conditions: Experiments and modelling

Billaud

Valin

Peyrot

et al. 2016

Fuel

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. Influence of H2O, CO2 and O-2 addition on biomass gasification in entrained flow reactor conditions: Experiments and modelling. Fuel, Elsevier, 2016, 166, pp.166-178. 10 Experiments were modelled with a 1D-model using detailed chemical scheme. Gas, char, tar + soot were satisfactorily simulated in the whole range of conditions. ysis reaction, gas phase reaction with a detailed chemical scheme (176 species, 5988 reactions), char gasification by steam and CO 2 and soot formation. H 2 O or CO addition has no influence on gasification product yields at 800 and 1000 °C, while at 1200 and 1400 °C the char gasification is significantly enhanced and soot formation is certainly inhibited by OH radical which reacts with soot precursors. The modification of output gas phase composition is mostly due to WGS reaction which reaches thermodynamic equilibrium from about 1200 °C. As expected, O 2 has a significant influence on gas and tar yields through combustion reactions. Char and soot yields decrease as ER increases. The GASPAR model allows a good prediction of gas and char and gives relevant evolution of soot and tar yields on the large majority of conditions studied.

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Section: Gas Phase Reactionsmentioning

confidence: 99%

Influence of H 2 O, CO 2 and O 2 addition on biomass gasification in entrained flow reactor conditions: Experiments and modelling

Billaud

Valin

Peyrot

et al. 2016

Fuel

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“…Eventually, toluene is formed via a radicalradical recombination once xylene decomposition is initiated, and in similar steps, benzene is formed from toluene [29]. Benzene also undergoes H-abstraction to form C 6 H 5 radical [30]. A radical recombination of CH 3 with another radical yields CH 4 , which is partly responsible for the observed increase in CH 4 mole fractions at lower residence time in the reactor.…”

Section: Gas Speciation and Analysismentioning

confidence: 99%

“…Therefore, these reactions could be rate-limiting in the overall decomposition rate of BTX in Claus reactors. Further decomposition of phenyl radical results in the formation of C 2 H 2 and significant reactions include (19) and (20) [30,36,34,37]. Cyclopentadienyl (C 5 H 5 ) is one of the important radicals widely observed in BTX oxidation and pyrolysis, especially in stoichiometric and fuel rich flames (at equivalence ratio of 1-2) [30].…”

Section: Gas Speciation and Analysismentioning

confidence: 99%

“…Thermal oxidation and pyrolysis of BTX have been examined, and various kinetic schemes have also been proposed. The reported kinetic models have been validated against various experimental data acquired under different experimental conditions and reacting systems that include: plug flow, jet-starred, shock tube reactors and premixed/laminar flames [26][27][28][29][30]. These studies have provided the behavior of BTX combustion and pyrolysis under different conditions.…”

Section: Introductionmentioning

confidence: 99%

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Xylene and H2S destruction in high temperature flames under Claus condition

2015

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“…[190] Mathematical analysis strategies for the similarities and deviations between all the available experimental data and all the published mechanisms can assist with the assessment of uncertainty ranges or the identification of outliers and, thus,s upport further mechanism development. [191] Although such strategies are emerging,t hey are,h owever, not intended to provide ad eeper understanding of the reaction kinetics that dominate ignition and combustion behavior.…”

Section: Experimental Strategies and Configurationsmentioning

confidence: 99%

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

et al. 2017

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Sustainably produced biofuels, especially when they are derived from lignocellulosic biomass, are being discussed intensively for future ground transportation. Traditionally, research activities focus on the synthesis process, while leaving their combustion properties to be evaluated by a different community. This Review adopts an integrative view of engine combustion and fuel synthesis, focusing on chemical aspects as the common denominator. It will be demonstrated that a fundamental understanding of the combustion process can be instrumental to derive design criteria for the molecular structure of fuel candidates, which can then be targets for the analysis of synthetic pathways and the development of catalytic production routes. With such an integrative approach to fuel design, it will be possible to improve systematically the entire system, spanning biomass feedstock, conversion process, fuel, engine, and pollutants with a view to improve the carbon footprint, increase efficiency, and reduce emissions.

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A wide range kinetic modeling study of pyrolysis and oxidation of benzene

Cited by 119 publications

References 68 publications

Influence of H 2 O, CO 2 and O 2 addition on biomass gasification in entrained flow reactor conditions: Experiments and modelling

Influence of H 2 O, CO 2 and O 2 addition on biomass gasification in entrained flow reactor conditions: Experiments and modelling

Xylene and H2S destruction in high temperature flames under Claus condition

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

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