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