Autothermal reforming of tetradecane (C14H30): A mechanistic approach

A computational kinetic study was completed to elucidate the mechanism by which tetradecane is converted to hydrogen in an autothermal reforming process. A reaction mechanism was developed to capture the major autothermal reforming reactions, which was then validated using experimental data. A sensitivity study was performed to identify the reaction classes most influencing product formation. The significance of each major reaction class as the reaction proceeds through the reactor was considered. Our analysis determined the tetradecane reaction sequence starts with oxidation and cracking reactions. While the catalyst serves to initiate the reaction mechanism, a mixture of gas phase and surface reactions occur throughout the reactor. Steam reforming was not found to be a significant reaction. Instead, hydrogen production is primarily the result of partial oxidation and water gas shift reactions. The water gas shift reaction was found to be the dominant reaction consuming of water.