Dear all,
Completely new to cantera here.
I have some basic understanding of the 0-D reactor models. as given in the pages:
homogenous (
h2o2.yaml) -
https://cantera.org/examples/python/reactors/pfr.py.html
I want to build a surf_pfr with both heterogeneous and homogeneous reactions, I tried to simply have two phases and combine the phases with the respective kinetics. I copies some of the reactions and species properties from the h2o2.yaml file into the methane_pox_on_pt.yaml file. My new yaml file looks like -
-------------------------------------------------------------------
phases:
- name: gas
thermo: ideal-gas
elements: [O, H, C, N, Ar]
species: [O, H, H2O2, OH, HO2, H2, O2, H2O, CH4, CO, CO2, AR]
skip-undeclared-elements: true
kinetics: gas
reactions: declared-species
transport: mixture-averaged
state:
T: 300.0
P: 1.01325e+05
X: {CH4: 0.095, O2: 0.21, AR: 0.79}
- name: Pt_surf
thermo: ideal-surface
elements: [Pt, H, O, C]
species: [PT(S), H(S), H2O(S), OH(S), CO(S), CO2(S), CH3(S), CH2(S), CH(S),
C(S), O(S)]
skip-undeclared-elements: true
kinetics: surface
reactions: declared-species
state:
T: 900.0
coverages: {O(S): 0.0, PT(S): 0.01, H(S): 0.99}
site-density: 2.72e-09
-------------------------------------------------------------------
On running the simulation with my own yaml file, there is an error in the surf_pfr.py fle at
for n in range(NReactors):
# Set the state of the reservoir to match that of the previous reactor
gas.TDY = r.thermo.TDY
upstream.syncState()
--->>> sim2.reinitialize()
which says the first phase of any kinetic manager must be gas.
Can you please help resolve this error. Seems this is something that should be fairly easy easy but I am making some kind of syntactic mistake.
Thanks for your help in advance.
Thanks and Best regards
Barry