(51b) Modeling Phase Equilibrium Behavior and Simulation of Pyrolysis Product Separations

In support of process intensification of biomass pyrolysis, advances in process modeling are essential to allow for the prediction of product distribution with increased accuracy. The use of representative components enables detailed modeling of separations downstream of the reactor but necessitates that each species has appropriate thermodynamic parameters to predict the phase behavior of the mixture. While the representative species are simplified versions of the infinite variety of molecules found in real pyrolysis streams, some have yet to have such parameters derived for them. This work looks at five such species, the sugars glucose, sucrose, and fructose and the lignin-derived molecules phenol and furfural. The association-NRTL-SAC model was chosen for its ability to predict the activity of components in a mixture using limited experimental data. The regressed parameters are presented here along with a comparison of model predictions with available experimental data and the simulation of a pyrolysis product separation system.