We have developed modeling capabilities to characterize chemically reacting flow in partial oxidation, reforming, and catalytic-combustion processes. Physical geometries are typically defined-channel monoliths or porous-foam supports. The channel models are based on a boundary-layer formulation (Catalysis Today, 59:47-60, 2000). The porous-foam models use a Dusty Gas formulation to model Knudsen and Ordinary diffusion as well as Darcy flow. All the models consider detailed reactions mechanisms to represent elementary heterogeneous chemistry on the catalyst surfaces. Recent efforts concentrate on metal-substituted hexaaluminate catalysts in porous-foam supports.

Partial oxidation and catalytic combustion modeling