In this study, the reduced chemical reaction mechanism of ethylene based on the LLNL N-Butane mechanism was gained, which included 23 species and 55 elementary reaction
Finite-rate chemistry computations, on the other hand, require reaction rate constants for each elementary reaction
in the mechanism.
Section 2 discusses four elementary reaction
processes that are modeled by second-order nonlinear ODEs that can be solved explicitly.
Several gasoline PRF reduced elementary reaction
models have been developed according to HCCI engine development, and some of them were published .
Combining this kind of molecular structure with the elementary reaction
operator designed in TMSCRO has a better capability of intensification and diversification than DMSCRO.
The second major reason is that solid state reaction is generally not an elementary reaction
, in which the reaction model varies with temperature, and the reaction might involve several steps with different activation energies.
[22.] Tokuda R., et al., "Reduced elementary reaction
model for dimethyl ether oxidation," Japan Society of Mechanical Engineers Annual Meeting (2011) G070051.
The reaction rate laws derived from the elementary reaction
steps in Scheme 1 a and b, respectively, are shown as follows (14):
In particular, the Arrhenius pre-expo-nential for this elementary reaction
differs slightly from that published in an our previous work  due to the modification introduced in its evaluation, as illustrated in the Computational Details section.
The kinetic equations of each elementary reaction
can be written as: