| Traditional chemical kinetics' deterministic simulation of reaction profiles is empirically accurate for large copy molecules. However, it is often not accurate for small copy molecules that tend to react stochastically. These small copy molecules can have a major impact on global kinetics. Purely stochastic simulation methods such as the Stochastic Simulation Algorithm are computationally expensive, and therefore, they are not useful to simulate large numbers of fast reacting molecules such as those present in a combustion system. In this thesis, a hybrid model (stochastic/deterministic) was developed and validated for methane combustion. The model treats low copy molecules stochastically while treating large copy molecules deterministically. The model can subsequently be used to study the effect of small copy molecules on applications such as vitiated air in an afterburner. |
