Influence of turbulent mixing on the pyrolysis of chloroform using detailed chemical kinetics

The influence of turbulent mixing on the pyrolysis of chloroform is systematically investigated. This analysis is performed by means of the probability density function (PDF) transport equation for a turbulent flow reactor. The feed of the model reactor consists of a stream of hot argon and a cold chloroform stream diluted with argon. The turbulence considered is homogeneous and isotropic, which leads to reduction of spatial dimensions and enables the implementation of all 32 species of the detailed mechanism. From the PDF of the species, the time evolution of all statistical moments can be revealed. Additionally, the PDF of reaction rates and integrated reaction rates (molar amounts of species through a specific reaction) is calculated. From this, a detailed analysis of the influence of the turbulent mixing on the reaction paths is performed. The turbulent mixing is modeled by a standard particle interaction model and by the binomial Langevin model extended to several scalars. The differences of these models are analyzed and discussed. The time evolution of the lower statistical moments are qualitatively the same; however, the shape of the PDE i.e., the higher statistical moments, differs significantly. Both mixing models lead to the conclusion that the decay of chloroform can be slightly accelerated for a certain range of turbulent mixing and slowed down outside this range. For presented initial conditions, this range is stated. Additionally it can be shown that the time evolution of intermediates is strongly dependent on the mixing.