gaspype/examples/soec_methane.md

SOEC example

import gaspype as gp
from gaspype import R, F
import numpy as np
import matplotlib.pyplot as plt

fuel_utilization = 0.90
air_utilization = 0.5
t = 800 + 273.15 #K
p = 1e5 #Pa

fs = gp.fluid_system('H2, H2O, O2, CH4, CO, CO2')
feed_fuel = gp.fluid({'CH4': 1, 'H2O': 0.1}, fs)

o2_full_conv = np.sum(gp.elements(feed_fuel)[['H', 'C' ,'O']] * [1/4, 1, -1/2])

feed_air = gp.fluid({'O2': 1, 'N2': 4}) * o2_full_conv / air_utilization

conversion = np.linspace(0, fuel_utilization, 32)
perm_oxygen = o2_full_conv * conversion * gp.fluid({'O2': 1})

fuel_side = gp.equilibrium(feed_fuel + perm_oxygen, t, p)
air_side  = gp.equilibrium(feed_air  - perm_oxygen, t, p)

#Plot compositions on fuel and air side
fig, ax = plt.subplots()
ax.set_xlabel("Conversion")
ax.set_ylabel("Molar fraction")
ax.plot(conversion, fuel_side.get_x(), '-')
ax.legend(fuel_side.species)

fig, ax = plt.subplots()
ax.set_xlabel("Conversion")
ax.set_ylabel("Molar fraction")
ax.plot(conversion, air_side.get_x(), '-')
ax.legend(air_side.species)

o2_fuel_side = gp.oxygen_partial_pressure(fuel_side, t, p)
o2_air_side = air_side.get_x('O2') * p

#Plot oxygen partial pressure
fig, ax = plt.subplots()
ax.set_xlabel("Conversion")
ax.set_ylabel("Oxygen partial pressure / Pa")
ax.set_yscale('log')
ax.plot(conversion, np.stack([o2_fuel_side, o2_air_side], axis=1), '-')
ax.legend(['o2_fuel_side', 'o2_air_side'])

z_O2 = 4
nernst_voltage = R*t / (z_O2*F) * np.log(o2_air_side/o2_fuel_side)

#Plot voltage potential
fig, ax = plt.subplots()
ax.set_xlabel("Conversion")
ax.set_ylabel("Voltage / V")
ax.plot(conversion, nernst_voltage, '-')
print(np.min(nernst_voltage))

cell_voltage = 0.77 #V
ASR = 0.2 #Ohm*cm²

node_current = (nernst_voltage - cell_voltage) / ASR #mA/cm² (Current density at each node)

current = (node_current[1:] + node_current[:-1]) / 2 #mA/cm² (Average current density between the nodes)

dz = 1/current / np.sum(1/current) #Relative distance between each node

terminal_current = np.sum(current * dz) #mA/cm² (Total cell current per cell area)

print(f'Terminal current: {terminal_current:.2f} A/cm²')

#Plot current density
z_position = np.concatenate([[0], np.cumsum(dz)]) #Relative position of each node

fig, ax = plt.subplots()
ax.set_xlabel("Relative cell position")
ax.set_ylabel("Current density / A/cm²")
ax.plot(z_position, node_current, '-')