The propane chemistry submechanism of GRI-Mech was designed to meet the following objectives:
The contradictory demands of (1-3) and (4) were met by the following compromise. Because most of the detailed chemistry of propane pyrolysis and oxidation arises from secondary reactions of C3Hn, n < 7, species, the artifice was adopted of forcing thermal decomposition of C3H7 to C2H4 and CH3 to be the only unimolecular reaction of C3H7, and considering that the radical-radical reactions of C3H7 lead only to C2 species.
Under these assumptions, radical attack on propane effectively occurs only at the 6 primary hydrogens and only the n-C3H7 radical participates in further C3 chemistry. An attempt was made to include all plausibly important bimolecular reactions of C3H7 that could lead to C2 products.
The GRI-Mech set of C3-reactions can therefore not be expected to describe "real" C3 chemistry under combustion conditions, for dehydrogenation and oxidative dehydrogenation reactions, and propene and allene, surely do play prominent roles, especially under fuel-rich conditions. Similarly, the adjustment of C3H7 rate coefficients and products has to be regarded as artifical, because there are really two C3H7 species, and also numerous reactions do lead to those unsaturated C3 species that are ignored.