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belong to the overall graph and need to be added to it. The easiest way to add the three remaining steps is to find empty routes that include all of them. The two following empty routes contain all three steps: • S26 -S27 +S19 =0 • S26 -S28 +S17 =0 These empty routes have to be added on the WGSR graph. Both of them contain S26. Unfortunately, the sequence of the reaction makes those empty routes impossible to fit in the graph. Thus, either a new graph need to be draw using the overall methanol oxidation reaction or COHS can be omitted. The latter solution was adopted here. Actually, according to the state of the art in Reaction Route Graph theory, such a graph would be too difficult to draw. 5. Overall conclusions The two graphs that are drawn here are a starting point for a detailed study of the electro-oxidation of methanol. Even tough, it is not complete it would make possible to identify the important steps and those which are limiting the reaction provided reaction kinetics of the steps are available. Unfortunately, it was not possible to find a way to calculate the activation energy of electro-chemical steps as a function of the electrode potential. A method based on calculations of the energy of the complex formed during the reaction has been developed by Anderson [27]. It needs a program which can calculate this energy right before and after the reaction. It was not possible to investigate this further in this study because of a lack of time. - 90 -PDF Image | Direct Methanol Fuel Cell (DMFC) Performance
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