Hydrogen flammability limits

[Martin Sneesby]

Hello

I'm trying to plot flammability limits (and expected pressure rise) for hydrogen ingress into a reduced oxygen environment that will be saturated in both steam and HF.  I have a YAML file with the relevant kinetics (H2 and HF).  I am using a constant volume reactor but the calculated pressure is less than initial!  Code below.  I'm using Cantera 3.2.0

import cantera as ct
import numpy as np

gas = ct.Solution('h2o2.yaml')

gas.TP = 283.15, ct.one_atm
gas.X = {"H2": 0.20, "O2": 0.15, "N2": 0.65}
P_start = gas.P

r = ct.IdealGasReactor(gas, clone=False)
sim = ct.ReactorNet([r])

# Apply a spark
state = r.phase.state # Capture current state (density/mass)
r.phase.TP = 1500.0, None
print(f"Spark Pressure: {r.phase.P/1e5:.2f} bar")

states = ct.SolutionArray(gas, extra=['t'])

time = 0.0
for n in range(1000):
    time += 1e-5
    sim.advance(time)
    states.append(r.phase.state, t=time)

p_max = np.max(states.P) / 1e5
print(f"Initial Pressure: {P_start/1e5:.2f} bar")
print(f"Peak Explosion Pressure: {p_max:.2f} bar")