Models - Fce.sofc Unit Cell
Models - Fce.sofc Unit Cell
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Introduction
This example studies the current density distribution in a solid oxide fuel cell (SOFC). It
includes the full coupling between the mass balances at the anode and cathode, the
momentum balances in the gas channels, the gas flow in the porous electrodes, the balance
of the ionic current carried by the oxide ion, and an electronic current balance.
Model Definition
An SOFC is constructed with two porous gas diffusion electrodes (GDEs) with an
electrolyte sandwiched in the middle; see Figure 1.
Flow channel
Anode outlet
Cathode outlet
Electrolyte
Figure 1: Geometry of the unit cell, with anode at the bottom and cathode at the top.
The fuel feed in the cathode and anode is counterflow, with hydrogen-rich anode gas
entering from the left.
• Anode
2- -
H2 + O → H 2 O + 2e
• Cathode:
CHARGE BALANCES
The electronic and ionic charge balance in the anode and cathode current feeders, the
electrolyte and GDEs are solved for using a Hydrogen Fuel Cell interface.
Assume that Butler-Volmer charge transfer kinetics describe the charge transfer current
density. At the anode, hydrogen is oxidized to form water, and assuming the first electron
transfer to be the rate determining step, the following charge transfer kinetics equation
applies:
p h2 p h2o
i a, ct = i 0, a ----------------- exp ------------ η – ------------------- exp ---------------- η
0.5F – 1.5 F
p h2, ref RT p h2o, ref RT
Here i0,a is the anode exchange current density (SI unit: A/m2), ph2 is the partial pressure
of hydrogen, ph2o is the partial pressure of water, ph2,ref and ph2o,ref is the reference
pressures (SI unit: Pa). Furthermore, F is Faraday’s constant (SI unit: C/mol), R the gas
constant (SI unit: J/(mol·K)), T the temperature (SI unit: K), and η the overvoltage (SI
unit: V).
p o2
i c, ct = i 0,c exp ------------ η – ---------------- exp ---------------- η
3.5F – 0.5 F
RT p o2,ref RT
where i0,c is the cathode exchange current density (SI unit: A/m2), and po2 is the partial
pressure of oxygen.
At the anode’s inlet boundary, the potential is fixed at a reference potential of zero. At the
cathode’s inlet boundary, set the potential to the cell voltage, Vcell. The latter is given by
where Vpol is the polarization. In this model, you simulate the fuel cell for a range of cell
voltage (ranging from around 0.2 V to 0.95 V) by using Vpol in the range 0.05 V through
0.8 V as the parameter for the parametric solver.
For the ionic charge balance equations, apply insulating boundary conditions at all
external boundaries. At the interior boundaries, continuity in current and potential applies
by default.
The boundary conditions at the walls of the gas channel and GDE are zero mass flux
(insulating condition). At the inlet, the composition is specified, while the outlet condition
is convective flux. This assumption means that the convective term dominates the
transport perpendicular to this boundary.
Continuity in composition and flux apply for all mass balances at the interfaces between
the GDEs and the channels.
GAS-FLOW EQUATIONS
The Free and Porous Media Flow interface is used for solving for the velocity field and
pressure. The compressible Navier-Stokes equations govern the flow in the open channels
and the Brinkman equations describe the flow velocity in the porous GDEs.
At the inlet and outlet, you set the pressure, specifying a slight overpressure at the inlet to
drive the flow (2 Pa at the anode, and 6 Pa at the cathode).
Figure 2: Oxygen mole fraction in the gas channel and in the gas diffusion cathode while
operating at a cell voltage of 0.8 V.
As a consequence of oxygen depletion, the current density distribution is poor, with most
of the current produced close to the cathode inlet. One way to improve the operating
conditions is to increase the cathode flow rate, thus improving the oxygen mass transport.
References
1. J. Hartvigsen, S. Elangovan, and A. Khandkar, Science and Technology of Zirconia V,
S.P.S. Badwal, M.J. Bannister, and R.H.J. Hannink, eds., p. 682, Technomic Publishing
Company Inc., Lancaster, P.A., 1993.
2. R. Herbin, J.M. Fiard, and J.R. Ferguson, First European Solid Oxide Fuel Cell
Forum Proceedings, U. Bossel, ed., p. 317, Lucerne, Switzerland, 1994.
NEW
In the New window, click Model Wizard.
MODEL WIZARD
1 In the Model Wizard window, click 3D.
2 In the Select Physics tree, select Electrochemistry>Hydrogen Fuel Cells>Solid Oxide (fc).
3 Click Add.
4 In the Select Physics tree, select Fluid Flow>Porous Media and Subsurface Flow>
Free and Porous Media Flow (fp).
5 Click Add.
6 In the Velocity field text field, type u_c.
7 In the Velocity field components table, enter the following settings:
u_c
v_c
w_c
u_a
v_a
w_a
Parameters 1
1 In the Model Builder window, under Global Definitions click Parameters 1.
2 In the Settings window for Parameters, locate the Parameters section.
3 Click Load from File.
4 Browse to the model’s Application Libraries folder and double-click the file
sofc_unit_cell_parameters.txt.
GEOMETRY 1
Create the geometry by first defining the 2D cross section of the device, then extrude it
to create the 3D model geometry.
Extrude 1 (ext1)
1 In the Model Builder window, under Component 1 (comp1)>Geometry 1 right-click
Work Plane 1 (wp1) and choose Extrude.
2 In the Settings window for Extrude, locate the Distances section.
3 In the table, enter the following settings:
Distances (m)
L
DEFINITIONS
Now make a number of selections to facilitate choosing different parts of the geometry
when setting up the model.
Membrane
1 In the Definitions toolbar, click Explicit.
2 In the Settings window for Explicit, type Membrane in the Label text field.
3 Select Domain 2 only.
MULTIPHYSICS
Next, couple the interfaces appropriately using the reacting flow multiphysics coupling
nodes. Note that currently, the multiphysics nodes may not be applicable to any domain
1 In the Model Builder window, under Component 1 (comp1) click Hydrogen Fuel Cell (fc).
2 In the Settings window for Hydrogen Fuel Cell, locate the O2 Gas Mixture section.
3 Select the H2O check box.
Membrane 1
1 In the Physics toolbar, click Domains and choose Membrane.
2 In the Settings window for Membrane, locate the Domain Selection section.
3 From the Selection list, choose Membrane.
ADD MATERIAL
1 In the Home toolbar, click Add Material to open the Add Material window.
2 Go to the Add Material window.
3 In the tree, select Fuel Cell and Electrolyzer>Solid Oxides>Yttria-Stabilized Zirconia, 8YSZ,
(ZrO2)0.92-(Y2O3)0.08.
4 Right-click and choose Add to Component 1 (comp1).
5 In the Home toolbar, click Add Material to close the Add Material window.
In the Electrolyte Phase node, the electrolyte conductivity is set to be taken from the
Materials node. In the H2 Gas Phase and O2 Gas Phase nodes, the settings are either the
default option or automatically set by the multiphysics coupling nodes.
1 In the Model Builder window, under Component 1 (comp1)>Hydrogen Fuel Cell (fc) click
O2 Gas Diffusion Electrode 1.
2 In the Settings window for O2 Gas Diffusion Electrode, locate the
Electrode Charge Transport section.
3 In the σs text field, type kseff_c.
4 Locate the Effective Electrolyte Charge Transport section. From the
Effective conductivity correction list, choose User defined. In the fl text field, type fl_c.
5 Locate the Gas Transport section. In the εg text field, type e_por.
There are no settings required on the flow channel nodes, other than the domain selection.
Next, set up the boundary conditions and initial values.
Electric Potential 1
1 In the Physics toolbar, click Attributes and choose Electric Potential.
2 Select Boundaries 10 and 22 only.
3 In the Settings window for Electric Potential, locate the Electric Potential section.
4 In the φs,bnd text field, type V_cell.
Initial Values 1
1 In the Model Builder window, expand the Component 1 (comp1)>Hydrogen Fuel Cell (fc)>
H2 Gas Phase 1 node, then click Initial Values 1.
2 In the Settings window for Initial Values, locate the Initial Composition section.
3 In the x0,H2O text field, type x_h2oref_a.
H2 Gas Phase 1
In the Model Builder window, click H2 Gas Phase 1.
H2 Inlet 1
1 In the Physics toolbar, click Attributes and choose H2 Inlet.
2 Select Boundary 11 only.
3 In the Settings window for H2 Inlet, locate the Mixture Specification section.
4 From the list, choose Mass fractions.
5 In the ω0,H2O text field, type w_h2oref_a.
H2 Gas Phase 1
In the Model Builder window, click H2 Gas Phase 1.
H2 Outlet 1
1 In the Physics toolbar, click Attributes and choose H2 Outlet.
2 Select Boundary 29 only.
Initial Values 1
1 In the Model Builder window, under Component 1 (comp1)>Hydrogen Fuel Cell (fc)>
O2 Gas Phase 1 click Initial Values 1.
O2 Gas Phase 1
In the Model Builder window, click O2 Gas Phase 1.
O2 Inlet 1
1 In the Physics toolbar, click Attributes and choose O2 Inlet.
2 Select Boundary 30 only.
3 In the Settings window for O2 Inlet, locate the Mixture Specification section.
4 From the list, choose Mass fractions.
5 In the ω0,H2O text field, type w_h2oref_c.
6 In the ω0,N2 text field, type w_n2ref.
O2 Gas Phase 1
In the Model Builder window, click O2 Gas Phase 1.
O2 Outlet 1
1 In the Physics toolbar, click Attributes and choose O2 Outlet.
2 Select Boundary 15 only.
Set up the properties of the porous gas diffusion electrode and the flow channel, followed
by the boundary conditions. Note that the density and viscosity of the gas mixture are
calculated by the Hydrogen Fuel Cell interface and automatically set by the multiphysics
coupling nodes.
Porous Medium 1
1 In the Physics toolbar, click Domains and choose Porous Medium.
Porous Matrix 1
1 In the Model Builder window, click Porous Matrix 1.
2 In the Settings window for Porous Matrix, locate the Matrix Properties section.
3 From the εp list, choose User defined. In the associated text field, type e_por.
4 From the κ list, choose User defined. In the associated text field, type perm_c.
Inlet 1
1 In the Physics toolbar, click Boundaries and choose Inlet.
2 Select Boundary 30 only.
3 In the Settings window for Inlet, locate the Boundary Condition section.
4 From the list, choose Pressure.
5 Locate the Pressure Conditions section. In the p0 text field, type dp_c.
Outlet 1
1 In the Physics toolbar, click Boundaries and choose Outlet.
2 Select Boundary 15 only.
3 In the Settings window for Outlet, locate the Pressure Conditions section.
4 Select the Normal flow check box.
Wall 2
1 In the Physics toolbar, click Boundaries and choose Wall.
2 Select Boundaries 8 and 25 only.
3 In the Settings window for Wall, locate the Boundary Condition section.
4 From the Wall condition list, choose Slip.
Porous Matrix 1
1 In the Model Builder window, click Porous Matrix 1.
2 In the Settings window for Porous Matrix, locate the Matrix Properties section.
3 From the εp list, choose User defined. In the associated text field, type e_por.
4 From the κ list, choose User defined. In the associated text field, type perm_a.
Inlet 1
1 In the Physics toolbar, click Boundaries and choose Inlet.
2 Select Boundary 11 only.
3 In the Settings window for Inlet, locate the Boundary Condition section.
4 From the list, choose Pressure.
5 Locate the Pressure Conditions section. In the p0 text field, type dp_a.
Outlet 1
1 In the Physics toolbar, click Boundaries and choose Outlet.
2 Select Boundary 29 only.
3 In the Settings window for Outlet, locate the Pressure Conditions section.
4 Select the Normal flow check box.
Wall 2
1 In the Physics toolbar, click Boundaries and choose Wall.
2 Select Boundaries 2 and 23 only.
3 In the Settings window for Wall, locate the Boundary Condition section.
4 From the Wall condition list, choose Slip.
GLOBAL DEFINITIONS
1 In the Model Builder window, under Global Definitions click Default Model Inputs.
2 In the Settings window for Default Model Inputs, locate the Browse Model Inputs section.
MESH 1
The physics settings for the model is now complete. A mapped mesh, swept in the channel
direction, is suitable for this geometry. Control the size in the y direction by using an
individual Edge node.
Edge 1
1 In the Mesh toolbar, click Boundary and choose Edge.
2 Select Edges 2, 10, 15, 18, 24, and 27 only.
Size 1
1 Right-click Edge 1 and choose Size.
2 In the Settings window for Size, locate the Element Size section.
3 Click the Custom button.
4 Locate the Element Size Parameters section.
5 Select the Maximum element size check box. In the associated text field, type
W_channel/8.
Mapped 1
1 In the Mesh toolbar, click Boundary and choose Mapped.
2 Select Boundaries 1, 4, 7, 11, and 15 only.
Distribution 1
1 Right-click Mapped 1 and choose Distribution.
2 Select Edges 12, 17, 22, and 26 only.
3 In the Settings window for Distribution, locate the Distribution section.
4 From the Distribution type list, choose Predefined.
5 In the Number of elements text field, type 10.
6 In the Element ratio text field, type 3.
7 Select the Symmetric distribution check box.
Distribution 2
1 In the Model Builder window, right-click Mapped 1 and choose Distribution.
Distribution 3
1 Right-click Distribution 2 and choose Duplicate.
2 In the Settings window for Distribution, locate the Edge Selection section.
3 Click Clear Selection.
4 Select Edges 1 and 30 only.
5 Locate the Distribution section. Select the Reverse direction check box.
Distribution 4
1 In the Model Builder window, right-click Mapped 1 and choose Distribution.
2 Select Edges 4 and 32 only.
3 In the Settings window for Distribution, locate the Distribution section.
4 In the Number of elements text field, type 3.
Mapped 1
Right-click Mapped 1 and choose Build Selected.
Swept 1
In the Mesh toolbar, click Swept.
Size 1
1 Right-click Swept 1 and choose Size.
2 In the Settings window for Size, locate the Element Size section.
3 Click the Custom button.
4 Locate the Element Size Parameters section.
5 Select the Maximum element size check box. In the associated text field, type
W_channel.
DEFINITIONS
Before solving, add a probe for the average cell current density, it will be plotted during
the solver process.
Step 3: Stationary
1 In the Model Builder window, click Step 3: Stationary.
2 In the Settings window for Stationary, locate the Physics and Variables Selection section.
3 In the table, clear the Solve for check boxes for Hydrogen Fuel Cell (fc) and
Free and Porous Media Flow - Anode (fp2).
4 In the table, clear the Solve for check boxes for Reacting Flow, H2 Gas Phase 1 (rfh1) and
Reacting Flow, O2 Gas Phase 1 (rfo1).
Stationary 2
1 In the Study toolbar, click Study Steps and choose Stationary>Stationary.
2 In the Settings window for Stationary, locate the Physics and Variables Selection section.
3 In the table, clear the Solve for check boxes for Hydrogen Fuel Cell (fc) and
Free and Porous Media Flow - Cathode (fp).
Stationary 3
1 In the Study toolbar, click Study Steps and choose Stationary>Stationary.
2 In the Settings window for Stationary, click to expand the Study Extensions section.
3 Select the Auxiliary sweep check box.
4 Click Add.
5 In the table, enter the following settings:
RESULTS
Several default plots are generated. Among them are the plots seen in Figure 2 and
Figure 3 that show the oxygen and hydrogen mole fraction distribution, respectively, at a
cell voltage of 0.8 V.
Polarization Curve
The following instructions reproduce the plot of the polarization curve for the SOFC (see
Figure 5).
1 In the Home toolbar, click Add Plot Group and choose 1D Plot Group.
2 In the Settings window for 1D Plot Group, type Polarization Curve in the Label text
field.
3 Click to expand the Title section. From the Title type list, choose Manual.
4 In the Title text area, type Polarization curve.
5 Locate the Plot Settings section.
6 Select the x-axis label check box. In the associated text field, type Average current
density (A/m<sup>2</sup>).
7 Select the y-axis label check box. In the associated text field, type V<sub>cell</sub>
(V).
Global 1
1 Right-click Polarization Curve and choose Global.
4 Locate the x-Axis Data section. From the Parameter list, choose Expression.
5 In the Expression text field, type I_cell.
6 In the Polarization Curve toolbar, click Plot.
1 In the Home toolbar, click Add Plot Group and choose 1D Plot Group.
2 In the Settings window for 1D Plot Group, type Power vs. Current in the Label text
field.
3 Locate the Title section. From the Title type list, choose Manual.
4 In the Title text area, type Total output power.
5 Locate the Plot Settings section.
6 Select the x-axis label check box. In the associated text field, type Average current
density (A/m<sup>2</sup>).
7 Select the y-axis label check box. In the associated text field, type Average Cell Power
(W/m<sup>2</sup>).
Global 1
1 Right-click Power vs. Current and choose Global.
2 In the Settings window for Global, locate the y-Axis Data section.
3 In the table, enter the following settings:
4 Locate the x-Axis Data section. From the Parameter list, choose Expression.
5 In the Expression text field, type I_cell.
6 In the Power vs. Current toolbar, click Plot.
1 In the Home toolbar, click Add Plot Group and choose 3D Plot Group.
2 In the Settings window for 3D Plot Group, type Electrolyte Current Density in the
Label text field.
Surface 1
1 Right-click Electrolyte Current Density and choose Surface.
2 In the Settings window for Surface, click Replace Expression in the upper-right corner of
the Expression section. From the menu, choose Component 1 (comp1)>
Hydrogen Fuel Cell>Electrolyte current density vector - A/m²>fc.Ilz -
Electrolyte current density vector, z-component.
Selection 1
1 Right-click Surface 1 and choose Selection.
2 Select Boundary 9 only.
3 In the Electrolyte Current Density toolbar, click Plot.
4 Click the Zoom Extents button in the Graphics toolbar.