Tutorials Manual

Chemkin 4.1.1
Chapter 2: Combustion in Gas-phase Processes
Figure 2-57
Final 3-D Temperature Contours of the Entire Physical Domain with Vertical Contour Legend (Colorbar).
2.7 Particle Tracking Module
2.7.1 Soot Formation and Growth in a JSR/PFR Reactor
The JSR/PFR system developed at MIT 23 provides a good platform for kinetic studies
of soot formation and growth because, under the JSR and PFR conditions, the
influence of mass diffusion on gas phase species profiles is minimized. The JSR
serves as the pre-heat and flame zones of a premixed flame and the PFR is used to
simulate the postflame region. From the prospect of model simulation, the JSR/PFR
implementation greatly reduces the complexity of the numerical process as well as
the run time. A schematic of the JSR/PFR configuration is shown in Figure 2-58.
As an example to assess the performance of the Particle Tracking Module, modified
PSR and PFR models are employed to simulate one of the premixed C 2 H 4 /O 2 /N 2
experiments by Marr 23 . The experimental data include mole fractions of major gasphase
species and PAH's and soot mass concentration at various locations inside the
PFR. Therefore, this data set is useful not only to validate the Particle Tracking
Module but to provide insights on the kinetics of nucleation and soot growth surface
reactions used to simulate the experiment.
23. J.A. Marr, PhD. Thesis, Dept. of Chemical Engineering, MIT (1993).
© 2007 Reaction Design 78 RD0411-C20-000-001