Preprint 60 Published
Preprint 60, "Multivariate Soot Particle Models", has been published on the CoMo Group website.
This paper presents a detailed model for soot which takes the chemical and structural properties of an individual particle into account. The model is applied to laboratory flames as well as to an internal combustion engine. An aromatic site model for soot particles is presented which incorporates detailed chemical information about a soot particle's reactive sites into the computationally efficient site-counting model. A primary-particle aggregate model is presented which accounts for the fractal structure of soot particles. By approximating the collision steps of aggregate formation, 3D structural representation of soot particles can be generated for different pressure regimes, although only the free-molecular regime is considered here. An algorithm for such 3D particle structure generation is presented for the specific application of generating TEM-style images as a diagnostic tool. The Aromatic Site Counting - Primary Particle (ARS-SC-PP) model is used to simulate soot formation in a laminar premixed flame and in an internal combustion engine. The latter being achieved by incorporating the detailed soot model into the stochastic reactor model, previously used for engine simulations.