Mechanism of soot initiation in methane systems

Pyrolysis of propane for CVI of pyrocarbon

“…A second route for the formation of benzene and proposed by several authors [30,41] is related to the recombination of propargyl radical (reaction 87). Finally, a third pathway, proposed by Weissman and Benson [39] has been taken into account and is based on successive additions of methyl free radical on unsaturated molecules such as acetylene or propene, followed next by dehydrogenation and cyclisation to give C 6 ring closure. The formation of toluene has been also described mainly by two routes.…”

“…Correlations obtained from a literature review are also used to estimate the kinetic data relevant to reactions The rate constants are expressed in the form k = AT n exp(ÀE/RT), with the units cm 3 , mol, s, J. a Rate constant estimated from the value given by Weissman and Benson [39] for the reaction aC 3 H 5 + C 2 H 2 = lC 5 H 7 . b Estimated from the initial value proposed by Stein et al [41].…”

Analysis of the Gas Phase by In Situ FTIR Spectrometry and Mass Spectrometry During the CVD of Pyrocarbon from Propane

“…This is supported by the fact that the propargyl radical is very stable (resonance energy) and should have a long lifetime. [25,28] The propargyl radical could be formed from propyne (Eq. 32), which has been detected by FTIR spectroscopy in the present study.…”

Ab Initio Calculations of Carbon-Containing Species and Comparison with Group Additivity Results. Part II. C4 Species

“…C 4 H 6 Cl 2 , 1,4-Dichloro-1-butene, CHCldCHCH 2 CH 2 Cl, ∆ f H°2 98 ) -51.9 kJ · mol -1 . There are no thermochemical publications regarding this compound except for the group additivity estimation made by Weismann and Benson 33 with ∆ f H°2 98 ) -58.2 kJ · mol -1 , 6.3 kJ · mol -1 lower than the G3B3-calculated value. C 4 H 6 Cl 2 , 3,4-Dichloro-1-butene, CH 2 dCHCHClCH 2 Cl, ∆ f H°2 98 ) -53.6 kJ · mol -1 .…”