Three-Dimensional CFD Simulation of a Proton Exchange Membrane Electrolysis Cell
Abstract
:1. Introduction
2. Mathematical Modelling
- Laminar flow regime, because of the low fluid velocity both in channels and porous diffusion media. The calculated Reynolds number in the examined cases is approximately 1000 in the channels, confirming this assumption.
- Ideal gases behaviour, given the relatively low pressure and temperature.
- The gravitational force is not considered.
- The gas diffusion layer (GDL) and CL are treated as isotropic and homogeneous porous media, characterized by effective permeability, uniform porosity, and tortuosity.
- Butler–Volmer kinetics govern the electrochemical reaction at the anode and cathode.
- The membrane is an impermeable solid medium, and the water flux is modelled by sorption reactions at the interfaces adjacent to CLs.
- The simulations are steady state since the objective is to analyse the time-independent cell’s performance at different voltages, aiming at understanding its stationary operation and numerically reproducing the polarization curve.
2.1. Porous Media Modelling
2.2. Membrane Modelling
2.3. Electrochemical Modelling
3. 3D-CFD Model
4. Results
5. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
Nomenclature
a | activity |
BP | Bipolar Plate |
c | concentration [mol/m3] |
cp | specific heat [J/kg/K] |
CL | catalyst layer |
CFD | Computational Fluid Dynamics |
EW | Equivalent molecular weight of dry membrane [kg/mol] |
F | Faraday constant [C/mol] |
force [N] | |
GDL | Gas Diffusion Layer |
LHV | Lower Heating Value [MJ/kg] |
i | (superficial) current density [A/m2] |
j | volumetric current density [A/m3] |
K | permeability [m2] |
k | thermal conductivity [W/m/K] |
Mass flow [kg/s] | |
M | millions |
MMP | Mixture multi-phase |
p | pressure [Pa] |
P | Power [W] |
PEM | Proton Exchange Membrane |
PEMEC | Proton Exchange Membrane Electrolyser Cell |
PEMFC | Proton Exchange Membrane Fuel Cell |
R | universal gas constant [J/mol/K] |
RES | renewable energy sources |
RH | Relative humidity |
S | entropy, source terms |
SMR | Steam Methane Reforming |
T | temperature [K] |
velocity [m/s] | |
Greek Symbols | |
α | charge transfer coefficient; volume fraction |
γ | pressure scaling coefficients; membrane water absorption/desorption rate [1/s] |
δ | thickness [m] |
ε | porosity |
specific active surface of the catalyst [1/m] | |
η | overpotential [V] |
contact angle [°] | |
κ | electric conductivity [S/m] |
λ | water content |
μ | dynamic viscosity [kg/m/s] |
ρ | density [kg/m3] |
σ | ionic conductivity [S/m]; surface tension [N/m] |
τ | tortuosity |
φ | potential [V] |
Subscripts and superscripts | |
a | anode |
c | cathode |
e | electrolyte |
el | electric |
eff | effective |
eq | equilibrium |
g | gas |
i | ionomer |
in | inertial |
l | liquid |
m | membrane |
n | the n-th phase |
p | porous |
pt | platinum |
ref | reference |
rl | relative |
s | solid |
v | viscous |
w | water |
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Governing Equation | Source Term Specification |
---|---|
Continuity equation: (1) | |
Momentum equation: (2) | |
Species transport: (3) | |
Energy transport: (4) | Solid parts (membrane): |
Charge transport: (5) (6) | ; ; ; |
Component Dimensions | Value |
---|---|
Channel height | 1 mm |
Channel width | 1 mm |
BP width between channels | 0.5 mm |
BP height | 1.5 mm |
GDL thickness | 300 μm |
CL thickness | 12 μm |
Membrane thickness | 30 μm |
Physical Properties of FC Main Components | Value |
---|---|
GDL Density (solid phase) Electrical conductivity Thermal conductivity Permeability Contact angle θc Porosity εGDL CL Porosity εCL Permeability Contact angle θc Specific active area Ionomer Density Ion. conductivity Spec. heat Th. conductivity Volume fraction Pt/C Density El. conductivity Spec. heat Th. conductivity Volume fraction BP Density El. conductivity Spec. heat Th. conductivity Membrane Density Ion. conductivity Spec. heat Th. conductivity | 2250 kg/m3 500 S/m 24 W/m/K 4 × 10−12 m2 110° 0.7 0.4 4 × 10−13 m2 110° 2000 kg/m3 Equation (12) 903.0 J/kg/K 0.445 W/m/K 0.4 2250.0 kg/m3 500.0 S/m 707.68 J/kg/K 10 W/m/K 0.6 2250 kg/m3 20,000 S/m 707.68 J/kg/K 20 W/m/K 2000 kg/m3 Equation (12) 903 J/kg/K 0.445 W/m/K |
Boundary Conditions | Value |
---|---|
Cathode Channel Inlet Water flowrate Temperature Volume fraction of water Outlet Pressure Anode Channel Inlet Water flowrate Temperature Volume fraction of water Outlet Pressure Cathode BP Top Electric potential Temperature Bottom Electric potential Temperature | 5 mL/min 353 K/333 K 1 101,325 Pa 50 mL/min 353 K/333 K 1 101,325 Pa 0 V 353 K/333 K (Fixed by the cooling system) From 1.4 V to 2.0 V 353 K/333 K (Fixed by the cooling system) |
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Corda, G.; Cucurachi, A.; Fontanesi, S.; d’Adamo, A. Three-Dimensional CFD Simulation of a Proton Exchange Membrane Electrolysis Cell. Energies 2023, 16, 5968. https://doi.org/10.3390/en16165968
Corda G, Cucurachi A, Fontanesi S, d’Adamo A. Three-Dimensional CFD Simulation of a Proton Exchange Membrane Electrolysis Cell. Energies. 2023; 16(16):5968. https://doi.org/10.3390/en16165968
Chicago/Turabian StyleCorda, Giuseppe, Antonio Cucurachi, Stefano Fontanesi, and Alessandro d’Adamo. 2023. "Three-Dimensional CFD Simulation of a Proton Exchange Membrane Electrolysis Cell" Energies 16, no. 16: 5968. https://doi.org/10.3390/en16165968