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Surface reaction mechanism development for partial oxidation of methane to synthesis gas
, Mhadeshwar A.B., Papavassiliou V., Vlachos D.G.
Published in
Volume: 47
Issue: 1
Pages: 116 - 117
An elementary surface reaction mechanism of methane oxidation was used, which was derived using a unique combination of surface science experiments, semi-empirical thermochemistry calculations, and mathematical optimization. The ability of predicting experimental data over a wide range of operating conditions was demonstrated. Quantitative predictions of experimental data on fuel conversion vs. surface temperature, and selectivities to synthesis gas were shown. The experiments were conducted in a fluidized bed and the simulations using a catalytic CSTR, with an area per unit volume ratio of 15,000/cm and a residence time of 0.18 sec. No optimization was done for the reaction mechanism. The predicted data matches fairly well the experimental data except at lower temperatures, where the model underpredicts conversion as well as selectivities. Developing a mechanism that is a valid over a wide range of pressure (pressure gap) is also important from a reactor design point of view, as most experiments have been conducted at relatively low pressures compared to the industrially desirable conditions.
About the journal
JournalACS Division of Fuel Chemistry, Preprints
Open AccessNo