NUMERICAL-SIMULATION OF INTENSE REACTION PROPAGATION IN MULTIPHASE SYSTEMS

A numerical model was evaluated including Arrhenius reaction kinetics to simulate multiphase flows with intense reactions and severe propert y gradients. Although these problems are common in chemical engineerin g, such an extreme case as detonation propagation in a dispersed parti culate flow was investigated. The model was evaluated with respect to the form of the conversation relations being simulated, frame invarian ce verification, constitutive relations, numerical stability, numerica l diffusion, and model verification using available experimental resul ts and equilibrium thermochemical predictions. The model was adequate with respect to numerical issues of particular concern such his stabil ity and numerical diffusion. To simulate experimental results realisti cally Arrhenius reaction kinetics alone were insufficient. When consid ering important physical mechanisms in the reaction modeling based on single particle heat transfer, the multiphase model simulates experime ntal results realistically.