Industrial & Engineering Chemistry Research, Vol.46, No.12, 4158-4165, 2007
Development of a kinetic model for the hydrogenolysis of CCl2F2 over 1 wt % Pd/C
A kinetic model for the main products, CHClF2, CH2F2, and methane, in the selective hydrogenolysis of CCl2F2 over a 1 wt % palladium on the activated carbon catalyst has been developed. The rate expressions in this kinetic model are derived from the elementary steps, which are based on the reaction mechanism. The reaction proceeds via a combination of parallel and serial reaction pathways rather than the expected serial reaction. This complicated reaction scheme dramatically changes the way in which the rate equations should be derived from the elementary steps. However, the calculations themselves appear to be rather straightforward. It will be shown that, in spite of the large number of possible surface intermediates, a practical and usable kinetic model can be derived. When the performance of such a model is compared with the different types of more generally derived Langmuir-Hinshelwood-Hougen-Watson (LHHW) models, it appears that the performance of all models is similar. Hence, it is possible to derive a useful kinetic model directly from elementary steps for a complicated reaction scheme with a combination of serial and parallel reactions. The performance of such a model is not inferior to other types of kinetic models, which are often put forward on the basis of the general form of the LHHW models.