Implementing a Stochastic Soot Model in a 3D Domain

Strickland, T. Implementing a Stochastic Soot Model in a 3D Domain. 2021.

In this document a highly detailed stochastic soot model limited to 0D simulations is coupled to 3D domains through the use of a Lagrangian parcel-Eulerian fluid method. Although both the stochastic soot model used and the Lagrangian parcel-Eulerian fluid method have long histories of development, their use, as described in this document, is novel and useful. Previous works significant to the model’s development include documents from both the stochastic and simpler soot model genre and the fuel, aerosol, and other particle tracking and Lagrangian parcel-Eulerian fluid genres. Developing the theory behind the model is crucial to its implementation because of the unconventional Lagrangian parcel-Eulerian fluid representation. In fact, the Lagrangian parcel-Eulerian fluid coupling is only a means of simplifying the much more difficult theoretical model. Despite the accompanying assumptions, the complete model is validated from the bottom up and then again in a holistic fashion with promising results. Then the model is used in multiple case studies, showcasing capabilities not had by other models. The optical properties of soot generated in a Spray A simulation are calculated to find measured results are likely overpredicting the mass of soot along the central axis via KL extinction measurements. A thermophoresis submodel that calculates force based on the soot particles’ shape is installed to find it has a high influence on the path of the heaviest soot particles. Investigations into the HACA mechanism for soot growth and the effect of syngas on soot in 3D domains are performed with much more detail than has been available before.