Strategies for introducing a Kinetic Model in a Combustion Reaction
Keywords:
Kinetic model, MEK combustion, Fe-oxygen-based catalyst.Abstract
A kinetic model of combustion reaction of MEK (methyl ethyl ketone) over Fe2O3 begginig from the proposition of possible mechanism until achieving a final kinetic model is developed in this work. This contribution pretends to resolve some questions introduced in a previous work related with the more suitable model selection. The aim of this work consists in the proposal of strategies addressing to improve the mathematical tools based on gradual approaches. A first estimated approximation carried out in EXCEL is proposed as a previous study to the model selection. The obtained constants have been used as starting values in the searching of the best fitted model with SCIENTIST program. The mechanistic models tested in this work were: Mars-Van Krevelen (MVK) and Langmuir-Hinshelwood (LH) assuming a plug flug reactor opering under quasi differential conditions as initial hypothesis. The best was the Langmuir-Hinshelwood model. Some variants of this mechanism were tested being the best model wich considers adsorption of CO over catalyst surface (identified as LH3). The calculations in the application of model LH3 were made assuming the VOC concentration as depending variable in the initial approach after which with the outlet constants as initial constants in a second etap the final model was obtained considering all the depending variables of the model which were besides MEK, the concentrations of CO and CO2. The suggested strategy leads to obtain good results and its application allowed to goal the final model in a very simply way.
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