12.1.4. Chemical reactions¶
See Setting up chemical reaction cases for information on using these keywords.
12.1.4.1. ARRHENIUS_RRATES_DES¶
Data Type: LOGICAL
Flag to use Arrhenius reaction model for discrete particle reactions.
12.1.4.2. ARRHENIUS_RRATES_FLUID¶
Data Type: LOGICAL
Flag to use Arrhenius reaction model for fluid phase reactions.
12.1.4.3. CHEM_MIN_SPECIES_FLUID¶
Data Type: DOUBLE PRECISION
Minimum species mass fraction in fluid. Reaction rates are not calculated when reactants fall below this threshold.
12.1.4.4. CHEM_MIN_SPECIES_SOLID¶
Data Type: DOUBLE PRECISION
Minimum species mass fraction in solid. Reaction rates are not calculated when reactants fall below this threshold.
12.1.4.5. NMAX(PHASE)¶
Data Type: INTEGER
\(0 \le Phase \le 10\)
Number of species in phase m. Note that the gas phase is indicated as m=0.
12.1.4.6. SPECIES_NAME(PHASE)¶
Data Type: CHARACTER
\(0 \le Phase \le 10\)
Names of gas and solids phase species as it appears in the materials database. The first NMAX(0) are the names of gas species. The next NMAX(1) are the names of solids phase-1 species, etc.
12.1.4.7. STIFF_CHEM_ABS_TOL¶
Data Type: DOUBLE PRECISION
Stiff chemistry solver absolute tolerance. Applies to all equations.
12.1.4.8. STIFF_CHEM_MAX_STEPS¶
Data Type: INTEGER
Maximum number of internal steps ODEPACK may use to integrate over the time interval. Leaving this value unspecified defaults to 500,000 steps. The stiff solver reports the number of cells that exceed the number of steps as ‘incomplete’.
12.1.4.9. STIFF_CHEM_MIN_RATE¶
Data Type: DOUBLE PRECISION
Stiff chemistry minimum fluid reaction rate. If all fluid reaction rates are below this threshold, a cell is said to be non-reactive and no ODE is set for this cell.
12.1.4.10. STIFF_CHEM_MIN_RATE_DPM¶
Data Type: DOUBLE PRECISION
- Stiff chemistry minimum DPM (Discrete phase model) reaction rate. If all DPM reaction
rates are below this threshold, a particle/parcel is said to be non-reactive and no ODE is set for this particle/parcel.
12.1.4.11. STIFF_CHEM_REL_TOL¶
Data Type: DOUBLE PRECISION
Stiff chemistry solver relative tolerance. Applies to all equations.
12.1.4.12. STIFF_CHEMISTRY¶
Data Type: LOGICAL
Flag to use stiff chemistry solver (Direct integration).
12.1.4.13. USE_RRATES¶
Data Type: LOGICAL
Flag to use legacy chemical reaction UDFs.