Simulation of Particle Synthesis by Premixed Laminar Stagnation Flames

Abstract

ABSTRACTA sectional method for determining particle size distributions has been implemented within the particle tracking module included with CHEMKIN-PRO. The module is available for use with many types of reactor models, ranging from 0-D batch reactors to laminar flame simulations. Coupled with the Burner-stabilized Stagnation Flame (BSSF) Model, the sectional model offers a high-fidelity, robust, and efficient computational framework for simulating flame synthesis of particles in a laminar, premixed stagnation flame environment. The CHEMKIN-PRO coupling allows inclusion of detailed gas-phase chemistry that determines key particle-formation precursors, along with physical processes such as nucleation and coagulation of particles. These capabilities are demonstrated for two flame-particle systems of practical importance, viz. nanocrystalline titania synthesis and soot formation. The results are compared with experimental data obtained at the University of Southern California (USC) flame facility. Computed particle size distributions show good agreement with experimental data. Simulations have led to exploration of the parameter space for particle production and particle-size influences.