chapter 6 numerical simulation of proton exchange membrane fuel cell · numerical simulation of...

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CHAPTER 6 Numerical simulation of proton exchange membrane fuel cell T.C. Jen, T.Z.Yan & Q.H. Chen Department of Mechanical Engineering, University of Wisconsin-Milwaukee, USA. Abstract This chapter presents general mathematical models and numerical simulation for proton exchange membrane fuel cell (PEMFC) to evaluate the effects of vari- ous designs and operating parameters on the PEMFC performance. Both one and two-dimensional models are presented; the advantages and weaknesses of using one-dimensional and two-dimensional models are discussed in detail. Subsequently, a general three-dimensional model is developed and described in detail. This three- dimensional general model accounts for electrochemical kinetics, current density distribution, hydrodynamics, and multi-component transport. It starts from basic transport equations including mass conservation, momentum equations, energy bal- ance, and species concentration in different elements of the fuel cell sandwich, as well as the equations for the phase potential in the membrane and the catalyst layers. These governing equations are coupled with chemical reaction kinetics by intro- ducing various source terms. It is found that all these equations are in a very similar form except the source terms. Based on this observation, all the governing equations can be solved using the same numerical formulation in a single domain without prescribing the boundary conditions at interfaces between different elements of the fuel cell. Detailed numerical formulations are presented in this chapter. Various parameters, such as velocity field, local current density distribution, species con- centration variation along the flow channel, under various operation conditions are computed by solving these governing equations in a single domain consisting of gas channel, catalyst layer and membrane. The performance of the PEMFC affected by various parameters such as temperature, pressure, and the thickness of the mem- brane is investigated. The numerical results are further validated with experimental data, which are available in the literature. This general three-dimensional model can be used for the optimization of PEMFC design and operation. It can also serve as a building block for the modeling and understanding of PEMFC stacks and systems. www.witpress.com, ISSN 1755-8336 (on-line) WIT Transactions on State of the Art in Science and Engineering, Vol 10, © 2005 WIT Press doi:10.2495/1-85312-840-6/06

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Page 1: CHAPTER 6 Numerical simulation of proton exchange membrane fuel cell · Numerical simulation of proton exchange membrane fuel cell 219 ofspeciesi, s istheelectricalpotentialinthesolidmatrixoftheelectrode,I

CHAPTER 6

Numerical simulation of proton exchangemembrane fuel cell

T.C. Jen, T.Z. Yan & Q.H. ChenDepartment of Mechanical Engineering, University ofWisconsin-Milwaukee, USA.

Abstract

This chapter presents general mathematical models and numerical simulationfor proton exchange membrane fuel cell (PEMFC) to evaluate the effects of vari-ous designs and operating parameters on the PEMFC performance. Both one andtwo-dimensional models are presented; the advantages and weaknesses of usingone-dimensional and two-dimensional models are discussed in detail. Subsequently,a general three-dimensional model is developed and described in detail. This three-dimensional general model accounts for electrochemical kinetics, current densitydistribution, hydrodynamics, and multi-component transport. It starts from basictransport equations including mass conservation, momentum equations, energy bal-ance, and species concentration in different elements of the fuel cell sandwich, aswell as the equations for the phase potential in the membrane and the catalyst layers.These governing equations are coupled with chemical reaction kinetics by intro-ducing various source terms. It is found that all these equations are in a very similarform except the source terms. Based on this observation, all the governing equationscan be solved using the same numerical formulation in a single domain withoutprescribing the boundary conditions at interfaces between different elements of thefuel cell. Detailed numerical formulations are presented in this chapter. Variousparameters, such as velocity field, local current density distribution, species con-centration variation along the flow channel, under various operation conditions arecomputed by solving these governing equations in a single domain consisting ofgas channel, catalyst layer and membrane. The performance of the PEMFC affectedby various parameters such as temperature, pressure, and the thickness of the mem-brane is investigated. The numerical results are further validated with experimentaldata, which are available in the literature. This general three-dimensional model canbe used for the optimization of PEMFC design and operation. It can also serve as abuilding block for the modeling and understanding of PEMFC stacks and systems.

www.witpress.com, ISSN 1755-8336 (on-line) WIT Transactions on State of the Art in Science and Engineering, Vol 10, © 2005 WIT Press

doi:10.2495/1-85312-840-6/06

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216 Transport Phenomena in Fuel Cells

1 Introduction

Although the fuel cell has received much attention in recent years, the underlyingconcept is still under heavy investigations [1]. The general concept of fuel cell oper-ations can be characterized as gas-mixtures transport and transformation of speciesby electrochemical reactions. Therefore, one of the most challenging problems infuel cell research is to predict the performance of the fuel cell. Using a mathe-matical model with numerical procedures to simulate the transport phenomena isa powerful tool to understand the fundamental physical and chemical processes ofa fuel cell. Thus, reliable mathematical models are essential for fuel cell design,operation and optimization.

2 One-dimensional (1-D) model

The earliest attempts to simulate the phenomena in PEM fuel cells were mainlyusing 1-D models. The pioneering work in 1-D modeling includes Savinell andFritts [2], Ridge [3], Fritts and Savinell [4], Yang [5], Verbrugge and Hill [6],Bernerdi and Verbrugge [7], and Springer [8]. These earliest works mostly con-sidered water and thermal management. During PEM fuel cell operations, watermolecules are carried from the anode side to cathode side of the membrane byelectro-osmosis. If this transport rate of water is higher than that by back diffusionof water, the membrane will become dehydrated and too resistive to conduct cur-rent. On the other side, if there is too much water, i.e. cathode side flooding mayoccur in the pores of the gas diffuser and hinder the transportation of reactants to thecatalyst side. Consequently, proper water management is required to maintain highmembrane conductivity and prevent flooding. Moreover, the effect of reacting gasdilution by high vapor pressure must be taken into consideration [1]. Thus, the watermanagement is critical for efficient performance. Verbrugge and Hill [6] have car-ried out extensive modeling of transport properties in perfluorosulfonate ionomersbased on dilute solution theory. False [9] reported an isothermal water map basedon hydraulic permeability and electro-osmotic drag data. Fuller and Newman [10]applied concentrated solution theory and employed literature data on transport prop-erties to produce a general description of water transport in fuel cell membranes.Bernardi and Verbrugge [7] took a different approach, in which transport throughthe gas diffusion electrodes was considered. They assumed the membrane to beuniformly hydrated, corresponding to an “ultra-thin membrane” case. Springer [8]presents an isothermal model, which includes transport through the porous elec-trodes. Their model required inputs from calculated diffusivities, which are neededto correct for porosity, and from experimentally determined transport parametersfor the transport through the membrane. Most of these models treated flow chan-nel as being perfectly well fixed, with no pressure and concentration differencealong the gas channel. These research works were particularly useful in classify-ing the different models for porous gas diffusion electrodes and providing the keyproperties of the membrane required for numerical simulation. These 1-D modelsprovided the sub-model bases for many following 2-D or 3-D research works.

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Numerical simulation of proton exchange membrane fuel cell 217

Here, we introduce a general 1-D PEM fuel cell model based on the researchwork by Bernardi and Verbrugge [7].

2.1 General 1-D model

2.1.1 Model descriptionThe fuel cell consists of a membrane sandwiched between two gas-diffusionelectrodes as shown in Fig. 1. The gas-diffusion electrodes are porous compos-ites made of electronically conductive material mixed with hydrophobic poly-tetrafluorethylene and supported on carbon cloth.The gaseous reactants can transportthrough the electrodes during operation. The electrochemical reactions occur in thecatalyst layer. Humidified hydrogen enters anode gas chamber, transports throughthe anode gas diffuser, and dissolves into catalyst layer. Hydrogen molecule isoxidized and generates protons and electrons. Protons go into membrane and elec-trons are received by carbon conductor. The overall electrochemical reaction canbe expressed as:

2H2 ↔ 4H+ + 4e-. (1)

Gaseous reactant O2 from air, usually mixed with H2O, enters into cathode gaschannel, transports through porous gas diffuser, and dissolves into cathode catalystlayer. Hydrogen protons diffuse into the cathode catalyst layer from anode catalystlayer through the membrane. On the surface of the catalyst particles, the oxygen isconsumed along with the protons and electrons, and the product, H2O, is producedalong with the waste heat. The overall electrochemical reactions occurring at thereaction site may be represented as:

4H+ + 4e- + O2 → 2H2O + heat. (2)

Therefore, the overall electrochemical reaction of the PEM fuel cell is:

2H2 + O2 → 2H2O + heat + electric energy. (3)

Figure 1: Schematic diagram of PEMFC.

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218 Transport Phenomena in Fuel Cells

The proton, dissolved oxygen, and dissolved hydrogen concentrations dependon the kinetic expressions of four-electron-transfer reaction for oxygen reductionand the proton-transfer reaction for hydrogen oxidation.

2.1.2 Model assumptionsThe cell is assumed to operate at steady state conditions. Since the cell thicknessis very small compared with the other dimensions of the cell, a one-dimensionalapproximation is used in the model formulation. The entire system is taken to beat constant temperature, and the gases are assumed to be ideal and well mixed inthe chambers. The steady state and isothermal assumptions are valid because theseconditions are often achieved in a small single-cell experimental investigation. Themodel requires some properties inputs such as water-diffusion coefficients, electro-osmotic drag coefficients, water sorption isotherms, and membrane conductivities,which are all measured in single-cell experimental studies. The temperature offuel cell is assumed to be well controlled. The heat transfer is supposed to bevery efficient so that the heat generation, which is due to the irreversibility of theelectrochemical reaction, ohmic resistance, as well as mass transport overpotentials,can be taken out quickly. The inlet gaseous temperature is assumed to be preheatedto the cell temperature. Fully hydrated membrane, wet gas diffuser, and saturatedchamber gases are considered.

The total gas pressure within the gas channel is assumed to be constant and sameas the pressure in gas diffuser since the gas velocity is very slow, the pressurevariation can be neglected along the gas channel. However, the pressure can varybetween anode and cathode.

With these assumptions the cell model is formulated with transport equations forthe electrodes, catalyst layers and membrane as described below.

2.1.3 Governing equationsThe governing equations constituting the mathematical model of the PEM fuelcell are derived by applying the conservation equations for an ideal gas in porousmedium, the Butler-Volmer equations, and the Stefan-Maxwell equation for gas-phase transport.

Electrodes:

Continuity:d

dx(ρv) = 0. (4)

Species:d

dx(ρiv + ρiVi) = mi. (5)

Potential:d�s

dx= − I

σeff, (6)

where ρi is the partial density of species i, ρ is average density, v is the mass-averaged velocity in x direction, Vi is the species i diffusion velocity, mi is the mass

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Numerical simulation of proton exchange membrane fuel cell 219

of species i, �s is the electrical potential in the solid matrix of the electrode, I is cellcurrent density, and σeff is the effective electrical conductivity. The diffusion veloc-ity Vi can be determined from the Stefan-Maxwell equation for multi-componentgas diffusion,

∇xi =∑

i

(xixj

Deffij

) (Vj − Vi

), (7)

where Deffi is the effective binary diffusion coefficient for species i in j, and xi is the

mole fraction for species i. Species i for cathode electrode can be taken as O2, N2and H2O; species i for anode electrode can be taken as H2 and H2O.

2.1.4 Catalyst layersThe catalyst layers are very thin compared to the other components in PEMFC, butthey are the heart of the fuel cell. Electrochemical reaction occurs in this regionto produce electrical energy and products. In this region, the transfer of mass andenergy is coupled with reaction kinetics when the cell is loaded and results in apotential difference between electrodes. How this potential difference varies asfunctions of mass transfer, electrode kinetics, and energy flux determines the fuelcell performance. The mathematical description of the active-catalyst-layer regionis based on Butler-Volmer relations [13, 14] for electrochemical reaction and speciesdiffusion. The macro-homogeneous approach is used in developing the governingequations. Current in the catalyst layer can transfer to electronically-conductivesolid portion of the catalyst layer (carbon and catalyst particles). The rate of elec-trochemical reaction is given by the Butler-Volmer expression [13, 14] . The masstransfer is modeled by using species conservation and Fick’s Law of diffusion. Thegoverning equations can be expressed as follows:

di

dx= −ajref

0

(CO2

CO2ref

)exp

(−αcFηc

RT

), (8)

where i is the current density, a is the catalyst reactive surface area per unit volume,jref0 is the reference exchange current density at the reference concentration Cref ,

CO2 is the oxygen concentration, αc is the transfer coefficients in Butler-Volmerrelation, F is the Faraday’s number, R is the universal gas constant, ηc is the over-potential at cathode side, and T is the reaction temperature.

From the material balance based on standard porous-electrode theory, we have:

dNi

dx= − si

nF

di

dx, (9)

where Ni is the superficial flux of species i, and si is the stoichiometric coefficientfor species i in the cathode reaction and anode reaction. The right hand side ofeqn (9) is the source term for the species conservation equation as shown below.

For hydrogen:

DeffH2

d2CH2

dx2= v

dCH2

dx+ di

dx

( sH2

nF

). (10)

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220 Transport Phenomena in Fuel Cells

For oxygen:

DeffO2

d2CO2

dx2= v

dCO2

dx+ di

dx

( sO2

nF

). (11)

For H2O:

DeffH2O

d2CH2O

dx2= v

dCH2O

dx+ di

dx

(− sw

nF

). (12)

Potential:

i = −σeff d�

dx, (13)

where i is the current density in the electron-conducting solid, and σeff is theconductivity of the electronically conductive catalyst layer.

2.1.5 MembraneThe membrane of PEM fuel cell acts as the hydrogen proton conductor. The trans-port processes in the membrane can be described by the conservation of species.The flux of species in the membrane is determined by the net effect of electro-osmotic drag, diffusion due to concentration gradient, and the convection due to apressure gradient. A form of the Nernst-Planck equation is used to describe the fluxof species in the membrane [15, 16].

Ni = −ziF

RTDiCi

d�m

dx− Di

dCi

dx+ vCi, (14)

where Ni is the superficial flux of species i, zi is charge number of species i, Ci is theconcentration of species i, and Di is the diffusion coefficient of species i, and �m

is electrical potential in membrane. v is the velocity of H2O, which is generated byelectric potential and pressure gradient, and can be described by a form of Schögl’sequation:

v = k�

µzf cf F

d�m

dx− kp

µ

dp

dx, (15)

where k� is electro-kinetic permeability, µ is pore-fluid viscosity, zf is fixed-sitecharge, cf is fixed-charge concentration, and kp is hydraulic permeability.

Current conservation:di

dx= 0. (16)

Mass conservation for liquid flow:

dv

dx= 0. (17)

Electric potential:

d�

dx= − i

σ+ F

σcH+v, (18)

σ = F2

RTDH+cH+ . (19)

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Numerical simulation of proton exchange membrane fuel cell 221

Furthermore, the potential and pressure profiles throughout the membrane regionare assumed to be linear with constant velocity. This is basically true for fully-developed porous media case.

2.1.6 Boundary conditionsBefore solving the governing equations, appropriate boundary conditions must bespecified. The temperature, pressure, relative humidity, flow rate, compositions ofthe reactant gases both in anode and cathode channels are specified according tothe cell operation condition.

In the following model description, c− is the anode catalyst layer, c+ is thecathode catalyst layer, d− is the anode gas diffuser; d+ is the cathode gas diffuser,and m is membrane. lc− is the thickness of anode catalyst layer, lc+ is the thicknessof cathode catalyst layer, lm is the thickness of membrane, ld− is the thickness ofanode gas diffuser, ld+ is the thickness of cathode gas diffuser. At the interfacebetween the anode gas diffuser and catalyst layer, the solid phase potential gradientis related to the cell operating current density by Ohm’s law:

i = d�m

dx

∣∣∣∣c−

σc−eff , (20)

where σc−eff is electronic conductivity of anode catalyst layer.

The membrane concentration of oxygen set to be zero as,

cO2 = 0. (21)

Since the hydraulic pressure distribution throughout the anode gas diffuser is linear,we can impose the boundary condition of pressure at the interface between anodegas diffuser and catalyst layer as:

po = p− − µ

kd−p

ld−vd−s , (22)

where p− is the pressure in anode gas chamber, kd−p is anode gas diffuser perme-

ability, and vd−s is water velocity in anode gas diffuser.

Because the total water flux is continuous, we have

Cwvd−s + N d−

w = Cwεc−m εm

wv∣∣c− , (23)

where N d−w is water vapor flux from Stefan-Maxwell equation [17], which is

N d−w = − I

2F

xsat−w

(1 − xsat−w )

, (24)

where

xsat−w = psat−

w

p−. (25)

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222 Transport Phenomena in Fuel Cells

The concentration of hydrogen is given by

csatH2

= (1 − xsatw )

p−KH2

. (26)

At the interface between the membrane and anode catalyst-layer, the current con-tinuity should be satisfied:

σmd�

dz

∣∣∣∣m

= σeffd�

dz

∣∣∣∣c−

. (27)

The superficial flux of liquid water is continuous:

v|m = εc−m v|c− (28)

and the flux of dissolved hydrogen is continuous through the internal boundary:

DH2

dcH2

dx

∣∣∣∣m

= DeffH2

dcH2

dx

∣∣∣∣c−

. (29)

At the membrane /cathode-catalyst-layer interface, the current, superficial fluxof liquid water, and the flux of dissolved oxygen are continuous, and the dissolvedhydrogen concentration is zero.

σmd�

dz

∣∣∣∣m

= σc+eff

d�

dz

∣∣∣∣c+

, (30)

v|m = εc+m v|c+ , (31)

DO2

dcO2

dx

∣∣∣∣m

= DeffO2

dcO2

dx

∣∣∣∣c+

, (32)

cH2 = 0. (33)

At the cathode-catalyst-layer/gas-diffuser interface, the current in the solid phaseis continuous.

σc+eff

d�solid

dx

∣∣∣∣c+

= σd+eff

d�solid

dx

∣∣∣∣d+

(34)

and the superficial flux of water is given by

ρvd+s + N d+

w = ρεc+m εm

wv∣∣c+ , (35)

where

N d+w = I

4F

xsat+w

1 − xsat+w − xN2 + xN2

rw

(36)

and rw is the diffusivity ratio given by

rw = Dw−N2

Dw−O2

. (37)

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Numerical simulation of proton exchange membrane fuel cell 223

The concentration of dissolved-oxygen in the catalyst layer is given by

csatO2

= (1 − xN2 − xsat+w )

p+KO2

, (38)

where KO2 is Henry’s constant, and

xsat+w = psat+

w

p+. (39)

2.1.7 Results and discussionTicianelli et al. [11] and Srinivasan et al. [18] published their experimental resultsrespectively. Their experimental data have been used extensively as standard vali-dation by many numerical studies such as Bernardi and Verbrugge [7]. Since mostof the numerical simulation parameters and properties are based on their experi-mental results, these parameters and properties are adopted in this chapter. Table 1shows the detailed physical parameters and properties.

Figure 2 shows the comparison of Bernardi and Verbrugge’s [7] calculated resultswith Ticianelli’s experimental data [11]. Note that, in their model the exchange-current density a+iref

o was adjusted to yield model results that are suitable mimic theexperimental results. With this one adjustable parameter, the agreements betweenmodel and experimental results are quite good.

Figure 3 shows the components of the overall cell polarization for the base case.At the low current densities (less than 100 mA/cm2), the activation overpotential ofthe oxygen reduction reaction is almost entirely responsible for the potential lossesof the cell. For current densities greater than 200 mA/cm2, the ohmic potentialloss due to the membrane and electrodes become more significant, and the cathodeactivation overpotential reaches a relatively constant value.

Figure 4 shows the effect of membrane thickness on the potential. Generally,the electronic conductivity is proportional to the thickness of the membrane. Theresults show the fuel cell potential increases as the membrane thickness decreasesfrom 7 mil (1 mil = 1/1000 inch) to 2 mil under dry membrane state.

The modeling value for the wet membrane thickness was obtained by assumingthat the ratio of the wet to dry thickness was a constant. The comparison betweenexperimental results (not shown) and model predictions is generally satisfactory.

The effect of cathode pressurization on the fuel cell potential is depicted in Fig. 5When the cathode pressure decreases from 5 to 3 atm, the open-circuit potential isonly slightly affected by the change in cathode pressure. The cell potential decreaseis primarily due to oxygen mole fraction decreased because of lower pressure; thisleads to the increase in cathode activation overpotential loss.

2.1.8 Summary1-D model provides a good preliminary foundation for PEM fuel cell modeling.These 1-D models base on the fundamental transport properties where the potentiallosses incurred by the activation overpotential of the anode and cathode reactions,

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224 Transport Phenomena in Fuel Cells

Table 1: The values of the parameters.

Wet membrane thickness, lm 0.023 cmGas diffuser thickness, ld+ = ld− 0.026 cmCatalyst layer thickness, lc+ = lc− 0.001 cmRelative humidity of inlet air 100%Relative humidity of inlet hydrogen 100%Inlet fuel and air temperature, T0 105 ◦CCell temperature, T 80 ◦CInlet nitrogen-oxygen mole ratio 0.79/0.21Air-side pressure, p+ 5 atmFuel-side pressure, p− 3 atmThermodynamic open-circuit potential, U 1.194 VEstimated proton diffusion coefficient, DH+ 4.5 × 10−5 cm2/sEstimated ionic conductivity, σm 0.17 ohm/cmFixed charge site concentration, cf 1.2 × 10−3 mol/cm3

Charge of fixed site, zf −1Dissolved oxygen diffusivity, DO2 1.2 × 10−6 cm2/sElectrokinetic permeability, k� 1.13 × 10−15 cm2

Hydraulic permeability, kp 1.58 × 10−14 cm2

Pore-fluid (water) viscosity, µ 3.565 × 10−4 kg/m · sPore-fluid (water) density, ρ 0.054 mol/cm3

Saturated water vapor pressure, psatw 0.467 atm

Henry’s law constant for oxygen in membrane, KO2 2 × 105 atm · cm3/molHenry’s law constant for hydrogen in membrane, KH2 4.5 × 104 atm · cm3/molVolume fraction membrane in active layer, εm,c 0.5Volume fraction water in membrane, εw,m 0.28Electronic conductivity, σd

eff = σceff 0.53 ohm/cm

Reference kinetic parameter of anode, ajrefo 1.4 × 105 A/cm3

Reference kinetic parameter of cathode, ajrefo 1 × 10−5 A/cm3

Cathodic transfer coefficient, αc 2Anodic transfer coefficient, αa 1/2H+ reference concentration, cref

H+ 1.2 × 10−3 mol/cm3

O2 reference concentration, crefO2

3.39 × 10−6 mol/cm3

H2 reference concentration, crefH2

5.64 × 10−5 mol/cm3

and the ohmic losses incurred by the membrane. The membrane is assumed fullyhydrated and the cell is assumed isothermal. However, it cannot model the depletionof the reactants and the accumulation of products in the flow direction.

2.2 General 2-D model

Two-dimensional (2-D) models are developed to improve the earlier 1-D models.Fuller and Newman [19] modeled and solved the transport across the fuel cell

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Numerical simulation of proton exchange membrane fuel cell 225

Figure 2: Model and experimental data for fuel cell at 80 ◦C, p+ = 5 atm,p− = 3 atm.

Figure 3: The contribution of fuel cell.

sandwich at certain location along the gas channel and then integrated in the sec-ond direction. In this 2-D model, the gas outside the gas diffusers was assumed tohave uniform composition in the direction across the cell. Nguyen and White [20],Amphlett et al. [21], andYi and Nguyen [22] developed pseudo 2-D models account-ing for composition changes along the flow path. These models are useful for smallsingle cells, however, when it is applied to large-scale fuel cells, particularly underhigh fuel utilization conditions, the applicability is limited.

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226 Transport Phenomena in Fuel Cells

Figure 4: The effects of membrane thickness on fuel cell potential.

Figure 5: Effect of cathode gas-channel pressure.

Later, Gurau et al. [23] presented a 2-D model of transport phenomena in PEMfuel cells. They developed a model to understand the transport phenomena such asthe oxygen and water distributions. They considered the interaction between the gaschannels and the rest of the fuel cell sandwich.Yi and Nguyen [24] also formulated a2-D model to explore hydrodynamics and multi-component transport in the cathode

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Numerical simulation of proton exchange membrane fuel cell 227

Figure 6: PEM fuel cell schematic diagrams.

of PEMFCs with an interdigitated flow field. More recently, Um et al. [25] presenteda transient 2-D model based on finite-volume CFD approach. They also exploredhydrogen dilution effects on PEMFC running on reformate gas.

The following section describes a general two-dimensional model for electro-chemical and transport processes occurring inside a PEMFC.

2.2.1 Model description and assumptionsFigure 6 shows a typical 2-D PEM fuel cell. It includes the collector plates, fueland gas channels, gas-diffusers, catalyst layers and membrane. Hydrogen and watervapor flow through anode fuel channel and humidified air is fed into the cathodechannel. Assume that hydrogen oxidation and oxygen reduction reactions occuronly within active catalyst layers.

Additional assumptions of this 2-D model are described below:

• The gas mixtures including anode channel and cathode channel are ideal gases.The density is treated as constant.

• The gas flows are laminar and incompressible.• The electrodes, gas diffusers, catalyst layers, and membrane are isotropic and

homogeneous.• The heat generated under reversible condition is neglected.• Only steady state condition is considered.• Cell temperature is held constant.• The contact electrical potential drop of different cell components is negligible.

2.2.2 Mathematical modelA single-domain approach developed by Um et al. [24] is used in this sectionto describe fuel cell transport processes. Therefore, no boundary conditions arerequired at the interface of different fuel cell components.

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228 Transport Phenomena in Fuel Cells

The governing equations can be written as:

Mass conservation:∂u

∂x+ ∂v

∂y= 0. (40)

Momentum conservation:

1

ερ

(u∂u

∂x+ v

∂u

∂y

)= −ε

∂p

∂x+ µ

(∂2u

∂x2+ ∂2u

∂y2

)+ Sx, (41)

1

ερ

(u∂v

∂x+ v

∂v

∂y

)= −ε

∂p

∂y+ µ

(∂2v

∂x2+ ∂2v

∂y2

)+ Sy. (42)

Species conservation:

1

ε

(u∂Xk

∂x+ v

∂Xk

∂y

)= εDk

(∂2Xk

∂x2+ ∂2Xk

∂y2

)+ Sk . (43)

Charge conservation:

∂x

(σm

∂�

∂x

)+ ∂

∂y

(σm

∂�

∂y

)+ S� = 0, (44)

where ε is porosity (for gas channel ε equals 1), S is the source term.Table 2 shows the values for different region of fuel cell. Xk is the mole fraction

of species k, Dk is diffusivity of species k.

Table 2: Source terms for the above governing equations.

Sx Sy Sk S�

Gas channel 0 0 0 0

Gas diffuser − µ

Kε2u − µ

Kε2v 0 0

For H2 − ja2Fctotal

For anode ja

Catalyst layer − µ

Kpεcu + E�

∂�

∂x− µ

Kpεcv + E�

∂�

∂yFor H2O jc

2FctotalFor cathode jc

For O2 − jc4Fctotal

Membrane − µ

Kpεmu + E�

∂�

∂x− µ

Kpεmv + E�

∂�

∂y0 0

where E� = K�

Kpzf cf F , K� is electro-kinetic permeability, Kp is hydraulic per-

meability of membrane, zf is fixed site charge, cf fixed charge concentration, andF is Faraday constant. ctotal is the total species concentration. ja and jc are transfer

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Numerical simulation of proton exchange membrane fuel cell 229

current densities defined by the Bulter-Volmer equations:

ja = ajref0

(XO2

X refO2

)[exp

(αa

aF

RTηc

)− exp

(−αc

aF

RTηC

)], (45)

jc = ajref0

(XH2

XHref2

)1/2 [exp

(αa

aF

RTηa

)− exp

(−αc

aF

RTηa

)], (46)

where σm is the proton conductivity in the membrane, which was correlated bySpringer et al. [8] as:

σm = exp

(1268

(1

303− 1

T

))(0.005139λ − 0.00326). (47)

The water content λ, in eqn (47) can be expressed as follows [25]:

λ = 0.043 + 17.81A − 39.85A2 + 36A3 for 0 < A < 1,(48)

λ = 14 + 1.4(A − 1) 1 ≤ A ≤ 3.

Note that A is defined as the vapor activity at the cathode gas diffuser catalyst layersinterface assuming thermodynamic equilibrium, which is given by

A = Xwp

psat . (49)

Here Xw is the water vapor molar fraction. The saturated water partial pressure,psat is expressed by the following empirical equation.

log10 psat = −2.1794 + 0.2953T − 9.1837 × 10−5T 2 + 1.4454 × 10−7T 3.

(50)

Once the electrical potential is determined in the membrane, the local currentdensity can be calculated by:

i(y) = −σm∂�e

∂x|interface. (51)

Then the averaged current density is determined as follows:

iavg = 1

L

∫mem

i(y)dy. (52)

The cell voltage can be calculated as:

E = E0 − |ηa| − |ηc| − iavg/σm, (53)

where E0 is the reference open-circuit potential of the fuel cell, which can beexpressed as a function of temperature [25]:

E0 = 0.0025T + 0.2329. (54)

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230 Transport Phenomena in Fuel Cells

2.2.3 Boundary conditionsThe boundary conditions for u, v, p, XH2 , XH2O, XO2 , �e at inlet of the channelare fixed.

uin,anode = uo− , vin,anode = 0, uin,cathode = uo+ , vin,cathode = 0,

pin,anode = po− , pin,cathode = po+ , XH2O,anode = X o−H2O,

XH2O,cathode = X o+H2O,

where superscript or subscript o− and o+ represent inlet condition at anode andcathode, respectively.

All velocities at solid walls are set to be zero due to no-slip conditions. The bound-ary condition for the electric potential is no-flux everywhere along the boundariesof computational domain. At the outlet, both channels are assumed sufficiently longthat the velocity and species concentration are fully developed.

2.2.4 Numerical proceduresGurau et al. [23] solved these governing equations in three different domains:the cathode gas channel-gas diffuser-catalyst layer for air mixture, the cathode gasdiffuser-catalyst layer-membrane-anode catalyst layer-gas diffuser for liquid water,and the anode gas channel-gas diffuser-catalyst layer for hydrogen. The continuityequations and momentum equations for the gas mixture were solved first in thecoupled gas channel and gas diffuser domains. Then the species concentrationequations together with the Butler-Volmer equations were solved iteratively. Afterconvergence is achieved, the transport equations related to water vapor flow aswell as the equations for cell potential and current density can be solved. Sincethe source term and boundary conditions for the two domains have to be matchedat the interface, new level iterations have to be introduced. When they solved theelectrochemical cell efficiency, they assumed the total overpotential first and thencalculated the transfer current density together with other unknowns. Once thecorrect current density is found, the ohmic losses can be calculated, and the cellpotential is set to be the open potential minus the sum of the total over-potential,and the total ohmic losses.

Um et al. [25] solved the governing equations in a single domain. Althoughsome species are practically non-existing in certain regions of a fuel cell, the speciestransport equations can still be applied throughout the entire computational domainby using the large source term technique, which is often assigned a sufficiently largesource term in this sub-region, that effectively freezes the non-exsiting species molefraction to zero.

2.2.5 Results and discussionFigure 7 shows the basic profile of fuel cell potential-current density characteris-tic for a 2-D model solution [26]. The potential loss generally has three sources:(1) activation polarization (act), (2) ohmic polarization (ohm), and (3) concentra-tion polarization (conc). The activation polarization loss is dominant at low current

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Numerical simulation of proton exchange membrane fuel cell 231

Figure 7: Fuel cell voltage-current density.

Figure 8: Effect of the gas diffuser porosity on the voltage-current density charac-teristic.

density. At this point, electronic barriers have to be overcome prior to current andion flow. Activation losses increase slightly as current increases. Ohmic polariza-tion (loss) varies directly with current, increasing over the whole range of currentbecause cell resistance remains essentially constant when temperature does notchange too much. Gas transport losses occur over the entire range of current den-sity, but these losses become prominent at high limiting currents where it becomesdifficult to provide enough reactant flow to the cell reaction sites.

Figure 8 demonstrated the effect of gas diffuser porosity on fuel cell performancepresented by Gurau et al. [23]. In their work, an isothermal condition at T = 353 Kand an inlet air velocity U0 = 0.35 m/s with 100% humidity were assumed. Forlower values of porosity, lower values of the limiting current density were found.The cell performance in the region where the concentration over-potentials arepredominant was also predicted.

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232 Transport Phenomena in Fuel Cells

Figure 9: Effect of the air inlet velocity on the performance.

Figure 9 presents the current density for different air inlet velocity at the cathodegas channel, assuming the gas diffuser porosity ε = 0.4 and a constant temperatureT = 353 K with 100% humidity. For higher inlet air velocity, more oxygen is fed;therefore, more oxygen is likely to arrive at the catalyst layer, with the result ofa higher limiting current density. This is explained by the fact that for the samepressure field, the axial momentum transfer across the gas channel-gas diffuserinterface becomes more important for higher velocities. This is a consequence whenmore “fresh” air is able to arrive at the catalyst layer. For the inlet air velocity higherthan approximately 2 m/s, the limiting current becomes constant, which shows thatthere is a limiting effect of the momentum transfer across the gas channel-gasdiffuser interface.

Figure 10 shows the oxygen mole fraction field in the cathode gas channel-gas diffuser coupled domain for a case of current density Iavg = 2.89 × 103 A/m2,Ui = 0.35 m/s, and T = 353 K (iso-thermal case) with humidity = 100%. Theoxygen is consumed in the catalyst layer. The mole fraction is decreased along theflow direction. The oxygen consumption depends on the operating current density.The higher current density, the more oxygen is consumed, thus, the faster mole frac-tion decreases along the flow direction. A limiting current density may occur whenthe oxygen or hydrogen is completely depleted at the reaction surface. The hydro-gen mole fraction field in the anode gas channel-gas diffuser coupled domain has asimilar distribution as the oxygen distribution in cathode side. In the present model,it is assumed that water only exists in the vapor state. However, if the electrochem-ical reaction rate is sufficiently high, the amount of water produced is condensedinto liquid phase. Under this situation, two-phase flow model has to be considered.

2.2.6 Concluding remarksThe 2-D model is a significant improvement over the 1-D models and could providesimulations that are more realistic. It can predict the transport phenomena in the

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Numerical simulation of proton exchange membrane fuel cell 233

Figure 10: Oxygen distribution in the cathode gas channel and gas diffuser.

entire fuel cell sandwich, including the gas channels. No assumptions are necessaryfor the distribution of the species concentrations or current density. The input dataare only those parameters that can be controlled in real fuel cell applications.

2.3 Three-dimensional (3-D) model

Recently, a few research groups extended 2-D model to 3-D model such as Shim-palee and Dutta [27], Zhou and Liu [28], Um and Wang [29], and Jen et al. [30].One of the major improvements of the 3-D model over the 2-D model is its ability tostudy the blocking effect of the collector plates and the effectiveness of the interdig-itated flow field [31]. Here we introduce a generalized 3-D model as well as somenumerical approaches and results. To solve the 3-D model, many different numer-ical method have been used such as CD-Star [24], FLUENT [27], Semi-ImplicitMethod [28], and Vorticity-Velocity Method [30]. In this section, 3-D formulationsare developed in such a way that they allow using the same code for solving theNavier-Stokes equations of the gas channel, gas diffuser and catalyst layers in acoupled domain. The potential equation and species concentration equations aresolved in a single domain of the whole fuel cell. The solutions of the hydrodynam-ics of the flow and polarization curves are analyzed and presented in details. Theresults of this study may be beneficial for further and more complete analyses ofthe performance of fuel cells.

2.3.1 Model developmentA typical PEM fuel cell configuration is shown in Fig. 11. The physical fuel cellmodel consists of anode gas channel, anode gas diffuser that formed by porous

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234 Transport Phenomena in Fuel Cells

Figure 11: The schematic of PEMFC.

media, anode catalyst layer, membrane, cathode catalyst layer, cathode gas diffuser,and cathode gas channel. In reality, when the fuel cell works, fuel and oxidant canbe viewed as a steady, laminar, developing forced convection flow in an isothermalrectangular channel, and penetrating through the gas diffuser to catalyst layers.In the model presented here, the flow is assumed to be steady, constant proper-ties, and incompressible. The viscous dissipation, compression work and buoyancyare assumed negligible. The gas mixtures are considered as perfect gases, and thespecies concentrations are considered as constant at the inlet of the channel. Theconcentrations along the gas channel and the gas-diffuser will vary due to diffusion-convection transport and electron kinetics in catalyst layers, and the distributionswill depend on the gas properties and reaction rate. Water transport in and out ofthe electrodes is assumed to be in the form of vapor only. This assumption may bequestionable in this model, in particular when the reactants flow into the gas chan-nel under saturated conditions. The water generation rate is very likely to exceedits removal rate and thus condensation formed in the cathode. As a result, two-phase flow forms in the cathode channel. This complex case is, however, neglectedin this chapter. The gas-diffuser, catalyst layers, and the membrane materials areconsidered as isotropic porous media. Contraction of the porous media is alsoneglected.

2.3.2 Mathematical modelThe governing equations base on conservation of mass, momentum, energy andspecies.

The model governing equations can be written as:

Mass conservation:∂u

∂x+ ∂v

∂y+ ∂w

∂z= 0. (55)

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Numerical simulation of proton exchange membrane fuel cell 235

Momentum conservation:

ρ

ε

(u∂u

∂x+ v

∂u

∂y+ w

∂u

∂z

)= −ε

∂p

∂x+ µ

(∂2u

∂x2+ ∂2u

∂y2+ ∂2u

∂z2

)+ Sx, (56)

ρ

ε

(u∂v

∂x+ v

∂v

∂y+ w

∂v

∂z

)= −ε

∂p

∂y+ µ

(∂2v

∂x2+ ∂2v

∂y2+ ∂2v

∂z2

)+ Sy, (57)

ρ

ε

(u∂w

∂x+ v

∂w

∂y+ w

∂w

∂z

)= −ε

∂p

∂z+ µ

(∂2w

∂x2+ ∂2w

∂y2+ ∂2w

∂z2

)+ Sz. (58)

Species conservation:

1

ε

(u∂Xk

∂x+ v

∂Xk

∂y+ w

∂Xk

∂z

)= εDk

(∂2Xk

∂x2+ ∂2Xk

∂y2+ ∂2Xk

∂z2

)+ Sk . (59)

Charge conservation:

∂x

(σm

∂�

∂x

)+ ∂

∂y

(σm

∂�

∂y

)+ ∂

∂z

(σm

∂�

∂z

)+ S� = 0, (60)

where ε is porosity, for gas channel ε equals 1, for gas diffuser ε = εd , for catalystlayer ε = εc, and for membrane ε = εm, and S is the source term. Table 3 showsthe source terms for different region of fuel cell.

The parameters of above governing equations are the same as the 2-D model.The boundary conditions and numerical procedures are similar to the 2-D case andwill not repeat here.

Here we introduce a new method, which was used by Jen et al. [30], to sim-plify the 3-D model by making the usual parabolic assumption. With the parabolic

assumption, the diffusion term in axial direction such as ∂2u∂z2 , ∂2v

∂z2 , ∂2w∂z2 , as well as

∂2Xk∂z2 can be neglected. Furthermore, the modified pressure P may be defined as

P(x, y, z) = p(z) + p∗(x, y), (61)

where p(z) is the pressure over the cross section at each axial location, and p∗(x, y)is the pressure variation in the x, y direction, which drives the secondary flow.Pressure gradient for axial direction:

∂P

∂z= ∂p

∂z+ ∂p∗

∂z, (62)

where ∂p∂z � ∂p∗

∂z is due to the useful parabolic assumption. So the axial pressuregradient can be written as:

∂P

∂z= ∂p

∂z= f (z). (63)

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236 Transport Phenomena in Fuel Cells

Tabl

e3:

Sour

cete

rms

for

the

abov

ego

vern

ing

equa

tions

.

S xS y

S zS k

S φ

Gas

chan

nel

00

00

0

Gas

diff

user

−µ K

ε2u

−µ K

ε2v

−µ K

ε2w

00

For

H2−

j a2F

c tot

alFo

ran

ode

j a

Cat

alys

tlay

er−

µ Kpε

cu+

E�

∂�

e

∂x

−µ K

cv+

E�

∂�

e

∂y

−µ K

cw+

E�

∂�

e

∂z

For

H2O

j c2F

c tot

alFo

rca

thod

ej c

For

O2−

j c4F

c tot

al

Mem

bran

e−

µ Kpε

mu

+E

∂�

m

∂x

−µ K

mv

+E

∂�

m

∂y

−µ K

mw

+E

∂�

m

∂z

00

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Numerical simulation of proton exchange membrane fuel cell 237

And we also have:

∂P

∂x= ∂p∗

∂x, (64)

∂P

∂y= ∂p∗

∂y. (65)

With the above parabolic flow assumptions, it is now possible to simply marchthrough the computational domains in the main flow direction without worryingabout the downstream conditions as those in elliptic flow cases. A novel vorticity-velocity method was used here to solve this problem. The axial vorticity functioncan be defined as:

ζ = ∂u

∂y− ∂v

∂x. (66)

Applying it to continuity eqn (55) for u and v, respectively.

∇2u = ∂ζ

∂y− ∂2w

∂x∂z, (67)

∇2v = −∂ζ

∂x− ∂2w

∂y∂z. (68)

Cross differentiation of x and y momentum equations of gas channel to eliminatepressure terms yield:

u∂ζ

∂x+ v

∂ζ

∂y+ w

∂ζ

∂z+ ζ

(∂u

∂x+ ∂v

∂y

)+ ∂w

∂y

∂u

∂z− ∂w

∂x

∂v

∂z

= µ

ρ

(∂2ζ

∂x2+ ∂2ζ

∂y2

). (69)

Using the same method we can get similar equation for gas diffuser

1

ε

(u∂ζ

∂x+ v

∂ζ

∂y+ w

∂ζ

∂z+ ζ

(∂u

∂x+ ∂v

∂y

)+

(∂w

∂y

∂u

∂z− ∂w

∂x

∂v

∂z

))+ ε2µ

κζ

= µ

ρ

(∂2ζ

∂x2+ ∂2ζ

∂y2

). (70)

An additional constraint, which will be used to determine f (z), is that global massconservation must be satisfied as follows:∫∫

wdxdy = UinD2e

(1 + r)2

4r, (71)

where r = ab is the aspect ratio of the gas channel, Uin is inlet velocity, De is

hydraulic diameter (4A/S).

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238 Transport Phenomena in Fuel Cells

2.3.3 Boundary conditionsBoundary conditions at the gas channel entries, such as gas mixture velocities,pressure, and component concentrations, are specified. No slip boundary conditionsare specified at the gas channel walls. At the interface between the gas channeland electron collectors, the boundary conditions of components concentration areassumed as:

∂Xi

∂n= 0. (72)

For the membrane potential equations, the boundary conditions are:

∂�

∂y= 0. (73)

This means that no proton current leaves top and bottom boundary. In x-direction,

∣∣∣∣∣∣∣anodecatalystsurface

= 0,∂�

∂x

∣∣∣∣∣∣∣cathodecatalystsurface

= 0. (74)

No boundary conditions are needed at the interface between gas channel and gasdiffuser because they are coupled in a single domain.

2.3.4 Discretization strategiesIn order to solve the above equations, some terms need to be discretized furthermore.The strategies of discretization is as follows:

The values of ∂w∂x , ∂w

∂y , ∂u∂x , and ∂v

∂y are discretized using central differencing at

each grid point. The values of ∂u∂z and ∂v

∂z , ∂�∂z are computed by two points backward

differencing. The values of ∂2w∂x∂z , ∂2w

∂y∂z , ∂ζ∂x and ∂ζ

∂y are calculated by using backwarddifferences axially and central differences in the transverse directions.

The values of vorticity on the boundary walls can be evaluated by followingequations.

ζ1 12,j = 1

2(ζ1, j + ζ2, j) = 1

2�y(u1 1

2 , j+1 − u1 12 , j−1) − v2, j

�x, (75)

ζ1, j = −2v2, j/�x + (u2, j+1 − u2, j−1)/(2�y) − ζ2, j, (76)

where u1 12 , j+1 = 1

2 u2, j+1; u1 12 , j−1 = 1

2 u2, j−1

2.3.5 Solution algorithms1. Solve velocity and pressure field for anode domain first. The initial values of

the unknowns u, v, and ζ are assigned to be zero at the entrance, z = 0. Uniforminlet axial velocity (i.e., w = 1) is used. Note that ζ = 0 at z = 0 results fromthe vorticity definition.

2. Discretizing eqns (69), (70) with power-law scheme [33] and solving them inthe coupled domain. Vorticity ζ can be calculated for gas channel, gas diffuserand catalyst layer.

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Numerical simulation of proton exchange membrane fuel cell 239

3. The elliptic-type eqns (67) and (68) are solved for u and v iteratively. Duringthe iteration process, the values of vorticity on the boundaries are evaluatedusing eqn (76).

4. Using control volume method with power-law scheme to discretize momentumequation in z direction, plug in new values u and v solved in step 2, one can solveaxial velocity w in coupled domain with constraint (71) to meet the requirementof the constraint flow rate.

5. Steps 3 – 4 are repeated at a cross section until the following convergencecriterion is satisfied for the velocity components u and v:

max∣∣∣un+1

i, j − uni, j

∣∣∣max

∣∣∣un+1i, j

∣∣∣ < 10−5, (77)

where n is the nth iteration of steps 3 – 4.6. Repeat steps 1– 5 for cathode domain. One can calculate velocity distributions

for gas channels, gas diffusers and catalyst layers in cathode domain.7. With obtained solutions u, v, and w for both anode and cathode channels,

species concentration equations and potential equations for a single domainfrom anode electrolyte to cathode electrolyte can be solved iteratively. Thesesteps are repeated until the following convergence criterion is satisfied:

max

max

∣∣∣X m+1k − X m

k

∣∣∣max

∣∣∣X m+1k

∣∣∣ ,

∣∣�m+1 − �m∣∣∣∣�m+1

∣∣ < 10−6, (78)

where m is the mth iteration of step 6, and k is the kth species.8. Steps 3 –7 are repeated at the next axial location until the final z location is

reached.9. Once the electrolyte potential is obtained, the local current density can be

calculated along the axial direction using following equation:

I (y, z) = −σm∂�

∂x. (79)

The average current density is then determined by

Iavg = 1

b

1

L

∫ b

0dy

∫ L

0I (y, z)dz. (80)

2.3.6 Results and discussion3-D models are generally more accurate and more detailed in transport phenomenathan 2-D models. Jen et al. [30] investigated the secondary flow patterns in fuel cellchannels. Zhou and Liu [28] analyzed detailed temperature distribution in fuel cell.Um and Wang [29] studied the effectiveness of the interdigitated flow field on fuelcell performance. Figure 12 shows the comparison of Zhou and Liu’s [28] 3-Dmodel numerical results with experimental data [32]. The operating conditions are:cathode flow rate is 1200 cm3/s; anode flow rate is 1200 cm3/s; cathode temperature

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240 Transport Phenomena in Fuel Cells

Figure 12: 3-D Comparison of computational result with experimental data.

is 60 ◦C; anode temperature is 60 ◦C; cathode pressure is 3 atm; anode pressure is1 atm. It can be found that the 3-D model numerical results for the polarizationcurve agree well with the experimental data except in the region of the concentrationpolarization loss dominate. Even if some discrepancies can be seen in this region,the basic trend is still good. Note that the polarization of concentration region wasnot given in Ticianelli et al. [11, 12] experimental investigations. Most early 1-Dor 2-D models did not investigate this region because no experimental data areavailable for this region.

2.3.6.1 Secondary flow pattern In Jen et al’s 3-D model [30], a general sec-ondary flow pattern in fuel cell channel were also investigated as shown in Fig. 13.At the location z̄ = 0.0005, as shown in Fig. 13(a), the secondary flow moves outfrom porous media in the core region. This is simply due to the acceleration ofthe core gas channel flow and the strong porous media resistance to push the fluidout of the gas diffuser in the early entrance region. Figure 13(b) shows the vectorsecondary flow pattern at z̄ = 0.008, which has two pairs of vortices, with onesmall pair counter rotating cells near the corner of the gas channel. It is observedthat, near the core region, a fairly uniform secondary flow running from the leftside to right side into the gas diffuser, and there are outflows from the gas dif-fuser to gas channel near the top and bottom wall. It is also interesting to see twocounter rotating cells at the top and bottom left corner, which are generated due tothe corner effect of the gas channel. In nearly fully developed region at z̄ = 0.2(Fig. 13(c)), the secondary flow strength has decreased significantly, and the effectof cross-sectional convection is negligible.

2.3.6.2 Temperature distributions Zhu and Liu [28] analyzed the temperaturedistribution in PEMFC. The temperature distributions across the whole fuel cell

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Numerical simulation of proton exchange membrane fuel cell 241

Figure 13: Secondary flow vector plots.

sandwich depend on the heat generation of the chemical reaction, Joule heating ofthe current, and cooling from channel walls. Due to very effective cooling, constantcell wall temperature is assumed; the typical temperature distribution is shown inFig. 14 as an illustrative case. The inlet temperature of the air and fuel are bothassumed to be 82 ◦C, inlet pressure at anode/cathode is 1 atm/3 atm. The major heatsource is the chemical reaction and Joule heating in the cathode side catalyst layer.The maximum temperatures are located within the cathode side catalyst layer nearair entrance region, as shown in Fig. 14. This is due to the high chemical reactionrate. The outer walls of the gas channels are kept at the constant temperature of82 ◦C, heat is transferred out of the fuel cell effectively by the cooling along theouter walls of the gas channel so the inside of the fuel cell is prevented fromoverheating. The temperature distribution profiles can be used to improve fuel celldesign to avoid membrane burning and drying out.

2.3.6.3 Water concentration variation Water management is very important forPEM fuel cell performance. During fuel cell operation, water within membrane isdriven from the anode side to the cathode side by electro-osmosis, and at the sametime it is driven in the opposite direction by diffusion [28]. If the water generationis more than water transport from the cathode, it causes cathode side flooding. Onthe other hand, if the water loss from anode is more than water supplies, it causesmembrane dehydration which leads to high ohmic losses. The conductivity of thepolymer electrolyte is a strong function of the degree of hydration, and flooding of

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242 Transport Phenomena in Fuel Cells

Figure 14: Temperature distributions across the fuel.

the cathode. It is common practice to saturate inlet fuel and air streams. However,due to the water generation along the cathode and electrical-osmosis drag fromthe anode to cathode, the water vapor concentration increases along the cathodechannel. As the inlet cathode stream is already fully saturated, the added waterfrom the chemical reaction and osmosis drag causes the cathode side to becomeover-saturated. In other words, liquid water exists along the cathode side and thiscould lead to flooding. To avoid this phenomenon, it is then suggested that thewater content in the cathode inlet stream should be reduced. Figures 15 and 16show the water vapor distributions along the cathode side and anode side whenthe hydrogen stream at the anode is fully saturated and the inlet air stream at thecathode is completely dry. Water vapor concentration along the cathode is increaseddue to the combined effect of water generation from the chemical reaction andelectrical-osmosis drag from the anode to cathode as shown in Fig. 15. Under suchoperation conditions, the water vapor concentration along the anode is reduced dueto the electrical-osmosis drag as shown in Fig. 16. Under this operation condition,membrane flooding can be avoided. However, the water vapor concentration nearthe inlet of the cathode is very low, the membrane dehydration may occur. Therefore,a proper water vapor added to the cathode stream and fully saturated anode streamare beneficial for fuel cell performance.

2.3.6.4 The effect of the flow fields Um and Wang [29] investigated the effects ofconventional flow fields and interdigitated flow fields on fuel cell performance. Con-ventional flow is usually straight streamtraces due to them all having open inlet and outlet.In contrast to conventional flow fields, interdigitated flow channels indicate that aircomes in along the lower channel, penetrates through the porous backing layer and

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Numerical simulation of proton exchange membrane fuel cell 243

Figure 15: Water vapor mole fraction varies along the flow direction in cathodechannel.

Figure 16: Water vapor mole fraction varies along the flow direction in the anodechannel.

exits through the upper channel. During the process, more oxygen is brought to thecathode catalyst reaction site by the forced convection, which results in better cellperformance. Figure 17 shows the effect of the interdigitated flow field on the cellperformance. There is a little difference in the current densities until cell potentialreaching 0.55 V because the cell potential loss for current densities below 1A/cm2 isprimarily dominated by the ohmic resistance. However, for Iavg > 1A/cm2, the cellpolarization curve begins to be limited by mass transport. In this region the positive

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244 Transport Phenomena in Fuel Cells

Figure 17: The polarization curve for conventional and interdigtitated flow fieldsat 353 K.

role of the interdigitated flow field becomes apparent. It is seen that the mass trans-port limiting current density is much improved by the use of interdigitated flow field.

2.4 Summary and conclusion

The numerical simulation presented here enables prediction of phenomena in theentire fuel cell sandwich, including the two gas flow channels, two gas diffusers, twocatalyst layers and membrane. It is able to predict detailed distributions of velocityfields, species concentration, current density, temperature, and polarization curves.It can be used to understand the interacting, complex electrochemical and transportphenomena that cannot be visualized experimentally. It also provides the ways toincrease fuel cell power output for future fuel cell design, such as increase celltemperature, pressure, decrease the membrane thickness, choosing proper watervapor contents, and flow fields etc.

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246 Transport Phenomena in Fuel Cells

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