Chemistry

Test the theoretical reaction rates for dissociation/recombination of CO2
Verifying the correct TCE implementation by determining the reaction rate through reaction probabilities
Reference databases show good agreement with Arrhenius results
- Forward (Deviation to reference database below 2%)
  - T= 5000K: 1.03326632044077E-19
  - T= 7500K: 3.82136955663569E-18
  - T=10000K: 2.04589227106689E-17
  - T=12500K: 5.18992209119347E-17
  - T=15000K: 9.17947197464986E-17
- Backward is compared against Arrhenius rate: 1.46E-46*EXP(2280.36/T)
  - NIST (1984WAR197C, Warnatz J. (1984) Rate Coefficients in the C/H/O System. In: Gardiner W.C. (eds) Combustion Chemistry. Springer, New York, NY)
  - Deviation is between 75% and 50%, acceptable qualitative agreement considering different approaches
  - T= 5000K: 2.30368195149908E-46
  - T= 7500K: 1.97878813874413E-46
  - T=10000K: 1.83395083063551E-46
  - T=12500K: 1.75218807938657E-46
  - T=15000K: 1.69971488272781E-46
Initial composition: n=3e22 at equal parts CO2, CO and O
Settings
- BackwardReacRate = true
- DSMCReservoirSim = true
- DSMCReservoirSimRate = true
- DSMCReservoirStatistic = false

Provide feedback