Coupling electrochemical reactions in CLs

Assuming non-interaction between adsorbed intermediate species and between intermediates and water, the rates of these elementary steps were described in Section 3.2.1.2. The value of the surface covering fraction (6 , ) can be obtained by a solution of the conservation equations in Ref (Chen and Chan, 2005), and specially, the ionomer coverages on Pt and C can be obtained from the CG-MD simulations. 

The kinetic parameters (associated with each elementary steps) are given by (Chen and Chan, 2005)  

According to the superposition principle (Rafii-Tabar etal, 2006), the potential drop j(t) is the sum of the ones related to the thickness of the adsorbed water layer (A i) andthe drop related to the dipolar surface density (A / 2)  

In Equation (3.10), the last term is a function of the electronic density r, which can be expressed as  

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