import numpy as np
from math import exp
import cantera as ct
mech = 'gri30.yaml'
fuel = 'CH4'
gas0 = ct.Solution(mech)
species = gas0.species()
reactions = gas0.reactions()
# construct custom reactions: replace 2nd reaction with equivalent custom reaction
custom_reactions = [r for r in reactions]
custom_reactions[2] = ct.CustomReaction(
equation='H2 + O <=> H + OH',
rate=lambda T: 38.7 * T**2.7 * exp(-3150.15428/T),
kinetics=gas0)
gas1 = ct.Solution(thermo='ideal-gas', kinetics='gas',
species=species, reactions=custom_reactions)
# old framework - use xml input
gas2 = ct.Solution(mech.replace('.yaml', '.xml'))
# construct test case - simulate ignition
def ignition(gas):
# set up reactor
gas.TP = 1000., 5 * ct.one_atm
gas.set_equivalence_ratio(0.8, fuel, 'O2:1.0, N2:3.773')
def test_custom(self):
rxn = ct.CustomReaction(equation=self._equation,
rate=lambda T: 38.7 * T**2.7 * exp(-3150.15428/T),
kinetics=self.gas)
self.check_rxn(rxn)
def test_custom_lambda(self):
# check instantiation from keywords / rate provided as lambda function
rxn = ct.CustomReaction(equation=self._equation,
rate=lambda T: 38.7 * T**2.7 * exp(-3150.15428/T),
kinetics=self.gas)
self.check_rxn(rxn)
def test_from_func(self):
f = ct.Func1(self._rate)
rxn = ct.CustomReaction(equation=self._equation, rate=f, kinetics=self.gas)
self.check_rxn(rxn)
def test_from_func1(self):
# check instantiation from keywords / rate provided as func1
f = ct.Func1(self._rate)
rxn = ct.CustomReaction(equation=self._equation, rate=f, kinetics=self.gas)
self.check_rxn(rxn)