Abstract

A nonlinear boundary value problem (BVP) from the modelling of the transport phenomena in the cathode catalyst layer of a one-dimensional half-cell single-phase model for proton exchange membrane (PEM) fuel cells, derived from the 3D model of Zhou and Liu (2000, 2001), is studied. It is a BVP for a system of three coupled ordinary differential equations of second order. Schauder's fixed point theorem is applied to show the existence of a solution in the Sobolev space .

1. Introduction

The modelling of fuel cells has been an attractive topic in the field of electrochemical theory. In the last decade, models for proton exchange membrane (PEM) fuel cells have been formulated by many scientists (see, e.g., [1]). Among these models, some complicated systems of partial differential equations (PDEs) were constructed from principles of fluid mechanics, electrostatics, and heat transfers; however, most of them were solved by numerical simulations only. We are interested in the mathematical analysis of the system of differential equations and the discussion is restricted on the transport phenomenon of a single-phase model given by [2]. The more complicated two-phase models, like those mentioned in [1, 3], are not in the scope of this paper.

In [4], by reducing space variables to one dimension and making several assumptions, a system of PDEs in [5] was simplified to a boundary value problem (BVP) for a linear system of decoupled ordinary differential equations (ODEs), and an exact solution was constructed. In [6], a 1D half-cell model reduced from [5] is considered; that model is a BVP for a nonlinear system of three ODEs of second order which are no longer decoupled and it seems to be hard to find an exact solution. By Schaefer's fixed point theorem, the study in [6] is able to show the existence of a solution in the space of continuously twice differentiable functions. In this paper, motivated by [4, 6], we will derive a 1D half-cell model from the 3D model of [2]; it is still a BVP for a nonlinear system of three ODEs of second order; however, the nonlinearity is different from that of [6] and an alternative strategy will be applied; namely, a weak formulation of the BVP will be considered. In this weak formulation, the function space is replaced by the Sobolev space and an iteration process associated with Schauder's fixed point theorem will be adopted. The result of this paper indicates a direction of attacking the complicated system of PDEs for the modelling of PEM fuel cells.

Now, we briefly describe the contents of this paper. In Section 2, the governed equations and boundary conditions in the cathode catalyst layer for the 1D half-cell model of PEM fuel cells are derived. In Section 3, the weak form of a linear generalized Neumann problem is described. Existence and uniqueness of the generalized Neumann problem is guaranteed by the Lax-Milgram theorem and it will be shown that the solution for the linear problem has an a priori bound. In Section 4, Schauder's fixed point theorem is applied to prove the existence of an solution for the nonlinear system of ODEs.

2. The Model

In this section, we will reduce a 3D model of Zhou and Liu [2, 7] to a 1D half-cell model. This 3D model was a modification of the 2D model given by Gurau et al. [5], so the derivation of the 1D model is quite the same with what we did in [6], we describe the derivation here for the reader's convenience.

Recall (e.g., see [8]) the species equations are where is the concentration of th component gas mixture, and is the effective diffusivity of the th component in the gas mixture, which is given by At the cathode, the mass generation source terms for oxygen, water, and protons are , and , respectively. At the anode, the source terms for hydrogen molecules and protons are and , where and are the transfer current density at anode and cathode, which represent the reaction rates. Note that the value of is negative and is positive. The relationships between , and the species concentration ( and ) are given by the Butler-Volmer equations where is the active catalyst surface area per unit volume of the catalyst layer, is the exchange current density under the reference conditions, is the absolute temperature, is the universal gas constant, and are symmetric factors, and and are the corresponding overpotentials.

The energy equation is with where is the thermal conductivity of the gas while is the thermal conductivity of the solid matrix of the porous media. The heat generation rates in different regions are given by Note that this is a main difference between the 3D model of [2] and the 2D model of [5].

The phase potential satisfies where is the phase potential, and is the ionic/electric conductivity which depends on : The current density is given by

Next, we assume that depend on one space variable and restrict to the cathode side of the catalyst layer, following [4], only one species (the oxygen) (i.e., , and let .) For simplicity, the derivative with respect to is denoted by .

From (2.4), the equation for energy becomes where is the catalyst layer phase potential, is the energy, and is the oxygen mass fraction; is a regularization of away from so that is required, and is a regularization of

By (2.7), in the cathode catalyst layer, we have the following equation for the phase potential where is a regularization of And for the oxygen mass fraction, via (2.2), we obtain the equation in the cathode catalyst layer: where is a regularization of We can assume that . The boundary conditions for this 1D model are where . It is convenient to let in the following discussions.

Note that the derivation of these boundary conditions can be found in [6]; therefore we do not repeat here.

Now, we formulate a weak form of the boundary value problem (2.10)(2.16).

Let and consider ; thus it is a weak solution of (2.10)(2.16) if the following equations hold: For (2.17), we have the following existence theorem.

Theorem 2.1. There exists at least one solution of (2.17) in

3. Linear Results

Before we prove Theorem 2.1, some linear results should be proved and we still use the notation for the solution of the following (weak) linear generalized Neumann problem: where , , . Since the equations for are decoupled, they can be treated separately.

The existence and uniqueness of the solution for the linear generalized Neumann problem (3.1)(3.3) is guaranteed by the following Lax-Milgram Theorem (see [9]).

Theorem 3.1 (A theorem on linear monotone operators). Let be a linear continuous operator on the real Hilbert space . Suppose that is strongly monotone, that is, there is a such that then for each given , the operator equation has a unique solution.

Next, we show that the solution for the linear problem has an a priori bound which can be shown to be independent of so that a domain for the iteration process exists.

Theorem 3.2. Suppose that is a weak solution for (3.1)(3.3), then one has where are positive constants, and they depend on .

Proof. Equation (3.6) holds. Since let ; therefore we have
By (3.10), we can get that Set , then (3.6) is proved.
Equation (3.7) holds. From   (3.2), Thus let so that It follows that Since , we have
To prove (3.7) we need a lemma (see [10]).
Lemma 3.3. Let denote a real Banach space, and let for some . Then (i) (after possibly being redefined on a set of measure zero), and(ii)
By Lemma 3.3, we get By (3.15), for (3.16), we arrive at On the other hand, for (3.2), we take so we know that Substituting (3.18) into (3.17), we arrive at Set , so that we have Hence, we get that Take , and from (3.21), we get (3.7).
Equation (3.8) holds. For (3.3), take ; thus we have
Now we introduce the following lemma (see [9]).
Lemma 3.4. Let G be a bounded region in with , and set then the two norms in (3.23) are equivalent on
Hence we consider the norm with the type and estimate by By Lemma 3.3, we have that Substituting (3.26) into the bound (3.25), we arrive at By (3.27), we have that where is the constant that appeared in the Sobolev inequality (see [11] and note that ) for all .
Hence, where , and is chosen to satisfy
From (3.30), we arrive at
Now we choose such that . Note that, in (3.3), if we choose test function , then Hence, we obtain that is bounded by a number depending on , , , and , and is independent of . So where is the maximum of . By (3.33), we have that where .
Let so (3.8) is proved.

4. Proof of Theorem 2.1

Now, we show the proof of Theorem 2.1.

Step 1. Under the assumptions made in Section 3, for each we first consider the linear generalized Neumann problem, for all .
Denote by the unique solution of problem (4.1), where

From Theorem 3.2, we know that

Now we consider the convex set By the estimate (4.2), we know that maps into

Step 2. We show that is continuous on that is, if in , as .
Consider the equations for all . The difference (4.5) gives By (4.6), we have Set , and let in (4.7), then Since , we know that Since , hence we have The proof of is similar and is omitted. Hence, is continuous on

Before the next step, we first state a regularity theorem, (see [12]). Consider the operator whose coefficients are continuous on a domain .

Theorem 4.1. Let be a weak solution of the equation in where is strictly elliptic on , the coefficients are uniformly Lipschitz continuous on , the coefficients are essentially bounded on , and the function is in . Also, assume that is of class and that there exists a function for which . Then one has also and where .

Remark 4.2. Theorem 4.1 continues to hold for sufficiently smooth with if we assume only that the principal coefficients are in .

Step 3. is precompact.
By Theorem 4.1, one has the following: where is a function for which , where is a function for which , where is a function for which .
For (4.14)(4.16), set for all .
By (4.17), we obtain that for all .
From (4.14), (4.18) and by a simple calculation, we obtain
Using the same formula, we also obtain that Thus, we have
So, maps into a bounded set in , since is compactly imbedded in (see, e.g., [9]); hence, is precompact in .

Hence by Schauder's fixed point theorem, has a fixed point and there exists a satisfyng (2.17). Thus, we complete the proof of Theorem 2.1.