Collaborative shock tube studies of benzene pyrolysis

Kern, R. D.; Wu, C. H.; Skinner, Geoff; Rao, V. Sree Hari; Kiefer, J. H.; Towers, J.A.; Mizerka, Lawrence J.

doi:10.1016/s0082-0784(85)80569-5

Cited by 23 publications

(12 citation statements)

References 17 publications

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“…formation has the highest sensitivit y coefficient in the experiments of Kern et al [23], while the l-C 6 H 5 formation prevails in the high pressure experiments [28]. The high temperature conditions of this sensitivity analysis reduce the importance of the biphenyl formation reactions.…”

Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 80%

“…[23][24][25] as well the shock tube experime nts reported in Fig. 10, not only allow a more reliable validation of the kinetic scheme but also show the possible use of the kinetic scheme as a tool for unifying measurements and indicating areas of major experimental uncertainties.…”

Section: Final Commen Ts and Conclusionmentioning

confidence: 89%

“…As expected, lower amounts of naphthalene and heavier species are formed under these conditions. The recent work of Comandini and Brezinsky [68] on the possible role of phenyl-phenyl addition to form naphthalene and acetylene, via isomerizatio n of biphenyl radicals and the formation of benzobic yclo [2,2,2]octatr iene also highlight s the ongoing interest in heavy species formatio n. Figure 6 shows a comparative sensitivity analysis of reaction rates on benzene concentr ation for the three sets of investiga ted experime ntal data [23,27,28], at about 1700 K and 25% benzene conversio n.…”

Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 98%

“…The first refers to the pyrolysis of a benzene-Ne mixture at 1704-2192 K and pressure 0.367-0.516 atm [23]. The second set of experiments was performed in the temperature range 1400-2000 K by Laskin and Lifshitz [27], and the third refers to the high pressure (30-50 bar) experiments of Sivaramakrishnan et al [28].…”

Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 99%

“…Table 1 summarizes the experimental data relating to benzene. These include well-stirred [16][17][18][19] and flow reactors [14,[20][21][22] at different operating pressures, shock tubes [19,[23][24][25][26][27][28], rapid compression machines [29], batch reactors [30], burner stabilized flames, as well as counterflow and spherically expanding flames [3,[31][32][33][34][35][36][37][38][39]. Figure 1 shows an axonometri c view of the wide range of analyzed experimental temperature , pressure and equivalence ratio condition s, with the related bi-dimensiona l sections.…”

Section: Introductionmentioning

confidence: 99%

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

Saggese

Frassoldati

Cuoci

et al. 2013

Combustion and Flame

118

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Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 80%

Section: Final Commen Ts and Conclusionmentioning

confidence: 89%

Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 98%

Section: Shock Tube Experiments Of Benzene Pyrolysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

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

Saggese

Frassoldati

Cuoci

et al. 2013

Combustion and Flame

118

View full text Add to dashboard Cite

High Temperature Reactions of Phenylacetylene

Herzler¹,

Frank²

1992

Ber Bunsenges Phys Chem

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Chemical Kinetics J Complex Compounds J Elementary Reactions J Shock Waves / ThermodynamicsHydrogcn atom abstraction from phenylacetylene (C6HS-C2H) like its reaction with hydrogen atoms have been studied at elevated temperatures behind reflected shocks. -The unimolecular decomposition of very low initial concentrations (3 -22 ppm) of phenylacetylene was investigated in the temperature range 1600 to 1900 K by monitoring the temporal H-atom production. -For C6HS-C2H + H, the thermal decomposition of very low concentrations (1 -3 ppm) of C2HJ served as H-atom source. Atomic resonance absorption spectrometry (ARAS) was used to record simultaneously H-atom and I-atom profiles. The experiments covcrcd the temperature range 1190 to 1530 K. -For both series of experiments, the total pressure was about 2.3 (+/-0.3) bar. k-2a = 3.6.10". exp(-44000/T) cm3 mol-' s-l is deduced for the reaction of phenyl readicals with acetylene, which is an important process in sooting flamcs:(R-2a)This rate constant agrees within a factor of 2 with the data from recent studies executed by Fahr et al. [la, 1 b]. C6H6 C6H50 C6H4C2H C10H7 Fig. 1 Principal reaction pathways for phenylacetylene formation/destruction in a benzeneair flame Bur. Bunsenges. Phps. Chenl. 96 11992) N(J. 10 0 VCH Verluysgesellschuft mbH. W-6940 Weinheim, 1992 000.5-9021/92/fOlO-l333 $ 3.50+.25/0 A. Bencsura et al.: Weak Collision Effects in the Reaction CHjCO o CH3 + C O ~ the uncertainty in k,,,, which gives an error of about f70% for the displacement reaction R -2a. Moreover, if we take into account the uncertainties in the thermodynamic data for phenylacetylene [18,19] and for the phenyl radical [20], the values of Kc(R2a) may change easily by factors of 2 to 3. If a second reaction pathway (R2b) would contribute appreciably to the overall rate constant k2, than the difference between the results from Fahr et al. [ l a , l b ] and those of the present study would still become larger.All these arguments give indications to consider pathway R2a as the more favorable reaction channel.Rate constants for the unimolecular decomposition of C H 3 C 0 have been obtained as a function of temperature (420-500 K) and helium density (3-18 . 10l6 atom cm-'), conditions which are in the second order region of the fall-off curve. An Arrhenius expression for the low-pressure limit unimolecular rate constant was obtained from the results, &(He) = (6.7 f 1.8) . lo-' exp[(-6921 f 126 K)/T] cm3 molecule-' s-'. Using a Master Equation formalism to calculate values of kl, a set of the two energy parameters needed in the calculations, E , and (AE)down (including its temperature dependence), was found that is within the range of expected values (including a temperature dependence in the case of (AE)down), which, when incorporated into the Master Equation, provides calculated rate constants which agree well with the measured ones. They are E, = 65.3 4.0 kJ mol-' and (AE)down = 65.6 + 0.271 T cm ' (the latter, a parameterized expression, is valid only in the temperature range of this study)....

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The Application of Densitometric Methods to the Measurement of Rate Processes in Shock Tubes

Kiefer¹

2001

Handbook of Shock Waves

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Collaborative shock tube studies of benzene pyrolysis

Cited by 23 publications

References 17 publications

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

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

High Temperature Reactions of Phenylacetylene

The Application of Densitometric Methods to the Measurement of Rate Processes in Shock Tubes

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