Tutorials Manual

Chapter 2: Combustion in Gas-phase Processes
Tutorials Manual
Figure 2-67
The Particle Diameter Evolution Inside the PFR Predicted by the Present Soot Module for the 1630K and
Φ = 2.2 case of the C 2 H 4 /O 2 /N 2 JSR/PFR Experiment by Marr
23 (see p. 78)
2.8 Chemistry Sets
In this section we provide a brief description of and references for the chemistry
mechanisms employed in Chapter 2.
2.8.1 Hydrogen/Air
The chemistry sets used to describe the combustion of hydrogen in air are provided
for the purposes of illustration only. These are slight variations of early work done at
Sandia National Laboratories, and are out-of-date. The gas-phase kinetics input files
are relatively simple. They generally contain 3 elements H, O and N or Ar, and 9 gasphase
species: H 2 , H, O 2 , O, OH, H 2 O, HO 2 , H 2 O 2 and N 2 or Ar, with about 18-20
reactions. Nitrogen is generally present as N 2 only, where it does not participate in
any chemical reactions (i.e., NO formation is not included). Pressure dependencies
for reaction rates are not explicitly treated, although there are enhanced collision
efficiencies for some reactions.
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