The capability of the 1-dodecylpyrene (DDP) pyrolysis mechanism to characterize the experimental data when radical hydrogen transfer (RHT) steps were eliminated and the kinetics of the reverse radical disproportionation (RRD) steps were augmented was investigated. This modeling analysis revealed that the removal of RHT steps from the DDP pyrolysis mechanism induced a less satisfactory prediction of experimental results. The absence of RHT could not be compensated by incrementing the rates of existing RRD steps or by introducing new RRD steps. However, it was noted that the capability of a mechanism-based model to depict experimental consequences was not proof of the effectiveness of the mechanism. Further research is highly recommended on hydrogen transfer reactions in polycyclic aromatic systems.
|Original language||English (US)|
|Number of pages||4|
|Journal||American Chemical Society, Division of Petroleum Chemistry, Preprints|
|State||Published - Jul 1994|
All Science Journal Classification (ASJC) codes
- Fuel Technology