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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 Secondary Current Distribution 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:
c h2 c h2o
i a, ct = i 0 a ----------------- exp ------------ – ------------------ exp ----------------
0.5F – 1.5 F
c h2 ref RT c h2o, ref RT
Here i0,a is the anode exchange current density (SI unit: A/m2), ch2 is the molar
concentration of hydrogen, ch2o is the molar concentration of water, ct the total
concentration of species (SI unit: mol/m3). ch2,ref and ch2,ref is the reference
concentrations (SI unit: mol/m3). 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 the
overvoltage (SI unit: V).
ct
i c, ct = i 0,c exp ------------ – x o2 --------------- exp ----------------
3.5F – 0.5 F
RT c o2,ref RT
where i0,c is the cathode exchange current density (SI unit: A/m2), and xo2 is the molar
fraction of oxygen.
where eq is the equilibrium potential difference (SI unit: V). The Concentration
Dependent Kinetics kinetics expression type is used to set up the above charge transfer
expressions.
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, eq,a = 0 V and eq,c = 1 V , and you
simulate the fuel cell over the range 0,2 V V cell 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.
MULTICOMPONENT TRANSPORT
SOFCs can be operated on many different fuels. This model describes a unit running on
hydrogen and air. At the anode, a humidified hydrogen gas is supplied as fuel, meaning
that the gas consists of two components: hydrogen and water vapor. In the cathode,
humidified air is supplied, consisting of three components: oxygen, water vapor, and
nitrogen.
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 Brinkman Equations 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 0.5 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>
Primary and Secondary Current Distribution>Secondary Current Distribution (cd).
3 Click Add.
4 In the Select Physics tree, select Chemical Species Transport>
Reacting Flow in Porous Media>Transport of Concentrated Species.
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
wO2
wH2O_c
wN2
u_a
v_a
w_a
wH2
wH2O_a
19 Click Study.
20 In the Select Study tree, select General Studies>Stationary.
21 Click Done.
GLOBAL DEFINITIONS
Define the parameters using the text file provided.
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.
Here, R_const and F_const are predefined constants representing the gas constant and
the Faraday constant, respectively.
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 Geometry toolbar, click 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.
Explicit 1
1 In the Definitions toolbar, click Explicit.
2 In the Settings window for Explicit, type Anode Flow Channel in the Label text field.
3 Select Domain 4 only.
Explicit 2
1 In the Definitions toolbar, click Explicit.
2 In the Settings window for Explicit, type Anode Electrode in the Label text field.
3 Select Domain 1 only.
Explicit 3
1 In the Definitions toolbar, click Explicit.
2 In the Settings window for Explicit, type Cathode Electrode in the Label text field.
3 Select Domain 3 only.
Porous Electrode 1
1 In the Physics toolbar, click Domains and choose Porous Electrode.
2 In the Settings window for Porous Electrode, locate the Domain Selection section.
3 From the Selection list, choose Anode Electrode.
4 Locate the Electrolyte Current Conduction section. From the l list, choose User defined.
In the associated text field, type kleff_a.
5 From the Effective conductivity correction list, choose No correction.
6 Locate the Electrode Current Conduction section. From the s list, choose User defined.
In the associated text field, type kseff_a.
7 From the Effective conductivity correction list, choose No correction.
GLOBAL DEFINITIONS
Porous Electrode 2
1 In the Physics toolbar, click Domains and choose Porous Electrode.
2 In the Settings window for Porous Electrode, locate the Domain Selection section.
3 From the Selection list, choose Cathode Electrode.
4 Locate the Electrolyte Current Conduction section. From the l list, choose User defined.
In the associated text field, type kleff_c.
5 From the Effective conductivity correction list, choose No correction.
6 Locate the Electrode Current Conduction section. From the s list, choose User defined.
In the associated text field, type kseff_c.
7 From the Effective conductivity correction list, choose No correction.
Electrolyte 1
1 In the Model Builder window, click Electrolyte 1.
2 In the Settings window for Electrolyte, locate the Electrolyte section.
3 From the l list, choose User defined. In the associated text field, type kl.
Electric Ground 1
1 In the Physics toolbar, click Boundaries and choose Electric Ground.
2 Select Boundaries 3 and 20 only.
Electric Potential 1
1 In the Physics toolbar, click Boundaries 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 s, bnd text field, type V_cell.
Initial Values 2
1 In the Physics toolbar, click Domains and choose Initial Values.
2 Select Domain 3 only.
3 In the Settings window for Initial Values, locate the Initial Values section.
4 In the phis text field, type V_cell.
Fluid Properties 1
1 In the Physics toolbar, click Domains and choose Fluid Properties.
2 In the Settings window for Fluid Properties, locate the Domain Selection section.
3 From the Selection list, choose Cathode Flow Channel.
4 Locate the Fluid Properties section. From the list, choose User defined. In the
associated text field, type mu.
Inlet 1
1 In the Physics toolbar, click Boundaries and choose Inlet.
2 In the Settings window for Inlet, locate the Boundary Selection section.
3 Click Paste Selection.
4 In the Paste Selection dialog box, type 30 in the Selection text field.
5 Click OK.
6 In the Settings window for Inlet, locate the Boundary Condition section.
7 From the list, choose Pressure.
8 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.
Wall 2
1 In the Physics toolbar, click Boundaries and choose Wall.
2 In the Settings window for Wall, locate the Boundary Selection section.
3 Click Paste Selection.
4 In the Paste Selection dialog box, type 8 25 in the Selection text field.
5 Click OK.
6 In the Settings window for Wall, locate the Boundary Condition section.
7 From the Wall condition list, choose Slip.
Transport Properties 1
1 In the Model Builder window, under Component 1 (comp1)>
Transport of Concentrated Species - Cathode (tcs) click Transport Properties 1.
2 In the Settings window for Transport Properties, locate the Density section.
3 In the MwO2 text field, type Mo2.
4 In the MwH2Oc text field, type Mh2o.
5 In the MwN2 text field, type Mn2.
Initial Values 1
1 In the Model Builder window, click Initial Values 1.
2 In the Settings window for Initial Values, locate the Initial Values section.
3 In the 0,wO2 text field, type w_o2ref.
4 In the 0,wH2Oc text field, type w_h2oref.
Inflow 1
1 In the Physics toolbar, click Boundaries and choose Inflow.
2 Select Boundary 30 only.
3 In the Settings window for Inflow, locate the Inflow section.
4 In the 0,wO2 text field, type w_o2ref.
5 In the 0,wH2Oc text field, type w_h2oref.
Outflow 1
1 In the Physics toolbar, click Boundaries and choose Outflow.
2 Select Boundary 15 only.
Fluid Properties 1
1 In the Physics toolbar, click Domains and choose Fluid Properties.
2 In the Settings window for Fluid Properties, locate the Domain Selection section.
3 From the Selection list, choose Anode Flow Channel.
4 Locate the Fluid Properties section. From the list, choose User defined. In the
associated text field, type mu.
Inlet 1
1 In the Physics toolbar, click Boundaries and choose Inlet.
2 In the Settings window for Inlet, locate the Boundary Selection section.
3 Click Paste Selection.
4 In the Paste Selection dialog box, type 11 in the Selection text field.
5 Click OK.
6 In the Settings window for Inlet, locate the Boundary Condition section.
7 From the list, choose Pressure.
8 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 In the Settings window for Outlet, locate the Boundary Selection section.
3 Click Paste Selection.
4 In the Paste Selection dialog box, type 29 in the Selection text field.
5 Click OK.
6 In the Settings window for Outlet, locate the Pressure Conditions section.
7 Select the Normal flow check box.
Wall 2
1 In the Physics toolbar, click Boundaries and choose Wall.
2 In the Settings window for Wall, locate the Boundary Selection section.
3 Click Paste Selection.
4 In the Paste Selection dialog box, type 2 23 in the Selection text field.
Transport Properties 1
1 In the Model Builder window, under Component 1 (comp1)>
Transport of Concentrated Species 2 - Anode (tcs2) click Transport Properties 1.
2 In the Settings window for Transport Properties, locate the Density section.
3 In the MwH2 text field, type Mh2.
4 In the MwH2Oa text field, type Mh2o.
5 Locate the Diffusion section. In the table, enter the following settings:
Initial Values 1
1 In the Model Builder window, click Initial Values 1.
2 In the Settings window for Initial Values, locate the Initial Values section.
3 In the 0,wH2 text field, type w_h2ref.
Reaction Coefficients 1
1 In the Model Builder window, expand the Porous Electrode Coupling 1 node, then click
Reaction Coefficients 1.
2 In the Settings window for Reaction Coefficients, locate the Model Inputs section.
3 From the iv list, choose Local current source, Porous Electrode Reaction 1 (cd/pce1/per1).
4 Locate the Stoichiometric Coefficients section. In the n text field, type 2.
5 In the wH2 text field, type 1.
6 In the wH2Oa text field, type -1.
Inflow 1
1 In the Physics toolbar, click Boundaries and choose Inflow.
2 Select Boundary 11 only.
3 In the Settings window for Inflow, locate the Inflow section.
4 In the 0,wH2 text field, type w_h2ref.
Outflow 1
1 In the Physics toolbar, click Boundaries and choose Outflow.
2 Select Boundary 29 only.
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.
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. Select the Maximum element size check box.
5 In the associated text field, type W_channel/8.
6 Click Build Selected.
Mapped 1
1 In the Model Builder window, right-click Mesh 1 and choose More Operations>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.
2 Select Edges 7 and 34 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 8.
6 In the Element ratio text field, type 3.
Distribution 3
1 Right-click Distribution 2 and choose Duplicate.
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
1 In the Model Builder window, click Mapped 1.
2 Click Build Selected.
Swept 1
In the Model Builder window, right-click Mesh 1 and choose Swept.
Size 1
1 In the Model Builder window, 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. Select the Maximum element size check box.
5 In the associated text field, type W_channel.
6 Click Build All.
DEFINITIONS
Before solving, add a probe for the average cell current density, it will be plotted during
the solver process.
Step 1: Stationary
1 In the Model Builder window, under Study 1 click Step 1: Stationary.
2 In the Settings window for Stationary, locate the Physics and Variables Selection section.
3 In the table, clear the Solve for check box for the following interfaces:
Physics interface
Brinkman Equations - Cathode (br)
Transport of Concentrated Species - Cathode (tcs)
Brinkman Equations 2 - Anode (br2)
Transport of Concentrated Species 2 - Anode (tcs2)
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 box for the following interfaces:
Physics interface
Secondary Current Distribution (cd)
Transport of Concentrated Species - Cathode (tcs)
Brinkman Equations 2 - Anode (br2)
Transport of Concentrated Species 2 - Anode (tcs2)
Physics interface
Secondary Current Distribution (cd)
Brinkman Equations - Cathode (br)
Transport of Concentrated Species - Cathode (tcs)
Transport of Concentrated Species 2 - Anode (tcs2)
Stationary 4
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:
Solution 1 (sol1)
Modify the default solver sequence in the last study step from segregated step to fully
coupled. The computation time gets shorter by switching to fully coupled solver
configuration.
RESULTS
3D Plot Group 2
Follow these instructions to reproduce the plot in Figure 2 of the oxygen distribution in
the anode at a cell voltage of 0.5 V.
1 In the Home toolbar, click Add Plot Group and choose 3D Plot Group.
2 In the Settings window for 3D Plot Group, locate the Data section.
3 From the Parameter value (V_pol (V)) list, choose 0.5.
4 Locate the Plot Settings section. Clear the Plot dataset edges check box.
Slice 1
1 Right-click 3D Plot Group 2 and choose Slice.
2 In the Settings window for Slice, click Replace Expression in the upper-right corner of the
Expression section. From the menu, choose Model>Component 1>
Transport of Concentrated Species - Cathode>Species wO2>tcs.x_wO2 - Mole fraction.
3 Locate the Plane Data section. In the Planes text field, type 20.
4 In the 3D Plot Group 2 toolbar, click Plot.
3D Plot Group 3
The following steps reproduce the corresponding plot for hydrogen (compare with
Figure 3).
1 In the Home toolbar, click Add Plot Group and choose 3D Plot Group.
2 In the Settings window for 3D Plot Group, locate the Data section.
3 From the Parameter value (V_pol (V)) list, choose 0.5.
4 Locate the Plot Settings section. Clear the Plot dataset edges check box.
Slice 1
1 Right-click 3D Plot Group 3 and choose Slice.
2 In the Settings window for Slice, click Replace Expression in the upper-right corner of the
Expression section. From the menu, choose Model>Component 1>
Transport of Concentrated Species 2 - Anode>Species wH2>tcs2.x_wH2 - Mole fraction.
3 Locate the Plane Data section. In the Planes text field, type 20.
4 In the 3D Plot Group 3 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, click to expand the Title section.
3 From the Title type list, choose Manual.
4 In the Title text area, type Polarization curve.
5 Locate the Plot Settings section. Select the x-axis label check box.
6 In the associated text field, type Average current density (A/m<sup>2</sup>).
7 Select the y-axis label check box.
8 In the associated text field, type V<sub>cell</sub> (V).
Global 1
1 Right-click 1D Plot Group 4 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 1D Plot Group 4 toolbar, click Plot.
1D Plot Group 5
Next, reproduce a plot showing the power output as a function of the cell voltage
(Figure 6).
1 In the Home toolbar, click Add Plot Group and choose 1D Plot Group.
2 In the Settings window for 1D Plot Group, locate the Title section.
3 From the Title type list, choose Manual.
4 In the Title text area, type Total output power.
5 Locate the Plot Settings section. Select the x-axis label check box.
6 In the associated text field, type Average current density (A/m<sup>2</sup>).
7 Select the y-axis label check box.
8 In the associated text field, type Average Cell Power (W/m<sup>2</sup>).
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 1D Plot Group 5 toolbar, click Plot.
3D Plot Group 6
Next reproduce the plot in Figure 4 showing the current density in the unit cell at 0.5 V.
Before defining the plot, add the data set for the Boundary 9.
1 In the Home toolbar, click Add Plot Group and choose 3D Plot Group.
2 In the Settings window for 3D Plot Group, locate the Data section.
3 From the Parameter value (V_pol (V)) list, choose 0.5.
Surface 1
1 Right-click 3D Plot Group 6 and choose Surface.
2 In the Settings window for Surface, locate the Expression section.
3 In the Expression text field, type cd.Ilz.
Selection 1
1 Right-click Surface 1 and choose Selection.
2 Select Boundary 9 only.
3 In the 3D Plot Group 6 toolbar, click Plot.
4 Click the Zoom Extents button in the Graphics toolbar.