Author: Yang Gao
Email: [email protected]
including: reaction rate parameters, third-body species and efficiencies, fall-off parameters
Only support simple reactions, third-body reactions, and fall-off reactions.
Do not support SRI, PLOG, CHEBY, and chemically activated reactions so far.
Add the support for PLOG reactions, June 12, 2017
Do not support SRI, CHEBY, and chemically activated reactions so far.
See Issue
Function: get_reaction_info(g, i)
g is the initialized chemistry
e.g. g = ct.Solution('h2.cti')
i the reaction index - 1 (Python is 0 based)
return reac
Test script: test_get_reaction_info.py
Output file: get_reaction_info.txt
h2.cti : H2 combustion
h2-plog.cti : add one artificial plog reaction as the last reaction
reac.RA, reac.RB, reac.RE : forward temperature ABE factors
RE is converted and divided by RU, so
kf = AT**Bexp(-E/T)
RA is kmole based, and converted to mole based in the test_get_reaction_info.py based on reaction order
reac.ITHB: number of enhanced third-body species, type: int
reac.NKTB: indices of enhanced third-body species, type: list
reac.AIK: efficiencies of enhanced third-body species, type: list
reac.Fall: first 3-> low pressure limit ABE, 4th-7th: alpha, T3, T1, T2 (T2 is only for 7 parameters Troe)
reac.isReversible = False
reac.isThirdbody = False
reac.isFalloff = False
reac.isChemical = False
reac.isPLOG = False
reac.isSimple = False
reac.isLindemann = False
reac.isTroe = False
reac.isTroe6 = False
reac.isTroe7 = False