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Modelling of Methanol Synthesis Based on Elementary ReactionsUsing the transition state theory, parameters like the pre-exponential factor and activation energy can be related to the active centers. These parameters suggest how a technical process can be described, even if the predominating geometries between the adsorbed species and the substrate are not known exactly. The approach to modelling methanol synthesis presented here shows that elementary reactions can be combined with simple coupled differential equations to derive major conclusions with respect to surface reactions of the catalyst.

The transition state theory allows parameters, such as the pre-exponential factor and the activation energy, to be associated with the active centers. These parameters are indicators of the way in which a technical process can be described even if the dominant geometries acting between the species adsorbed and the substrate are not known precisely. The process of modeling methanol synthesis shown here indicates that elementary reactions can be combined with simple coupled differential equations to allow important conclusions to be drawn about the surface reactions of the catalyst.

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