AIChE Journal, Vol.44, No.2, 294-309, 1998
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 property gradients. Although these problems are common in chemical engineering, such an extreme case as detonation propagation in a dispersed particulate flow was investigated. The model was evaluated with respect to the form of the conversation relations being simulated, frame invariance verification, constitutive relations, numerical stability, numerical diffusion, and model verification using available experimental results and equilibrium thermochemical predictions. The model was adequate with respect to numerical issues of particular concern such his stability and numerical diffusion. To simulate experimental results realistically Arrhenius reaction kinetics alone were insufficient. When considering important physical mechanisms in the reaction modeling based on single particle heat transfer, the multiphase model simulates experimental results realistically.