High-temperature ethane and propane decomposition

Shock tube measurements of 3-pentanone pyrolysis and oxidation

“…In particular, reaction (5) is a primary CH 3 removal channel at high temperatures. In the present analysis, we updated the rate constant for reaction (5) with the values measured by Oehlschlaeger et al [28] (in the reverse direction), whose measured values are consistent with another recent study from Kiefer et al [29]. The rate constants for reactions (3)-(5) (and the H-atom abstraction reactions from 3-pentanone by H radicals) are also provided in Table 2.…”

Collisional energy transfer in polyatomic molecules at high temperatures: Master equation analysis of vibrational relaxation of shock-heated alkanes

“…A multitude of other (faster) eigenmodes of the Figure 3. Comparison of the average energy transferred in deactivating collisions ( X down for X = E, Ev, or ε) for ethane in Kr bath predicted at Ev = 30 000 cm −1 and those derived from its thermal decomposition rate constants [28,29]. master equation cannot produce the slower process, and the double relaxation cannot be explained by the present master equation model.…”

“…The calculations were performed to elucidate the validity of the predicted energy transfer parameters by conducting master equation analyses of the vibrational relaxation times and comparing the results with the available experimental data [14,28]. Some comparisons were also made between the computed energy transfer parameters and those obtained from thermal decomposition rate constants [28,29]. The computational methods and results of the classical trajectory calculations are described in the next section, and the subsequent section presents the master equation calculations and discussion.…”

High-temperature rate constant measurements for OH + xylenes

“…was updated in the base mechanism as measured by Oehlschlaeger et al [34]. The rate constant of the decomposition of methanol…”