Kinetics of Gasoline Reforming
Procedure for Model Development
Experiments performed to determine the product distributions from C6, C7, and C8 reactant feeds under a variety of conditions.
Ab initio electronic structure theory was used to determine the energetics for the reactions of the C6 and C7 species.
A kinetic model was developed based on the ab initio data. Adjustable parameters were empirically fit to experimental data for the C6 feed while the validity of the parameters were then checked with the C7 data.
Group additivity rules were developed to extend the model to heavier hydrocarbons and comparison to experiment was made for the C8 feed.
Reaction rates were determined from the Arrhenius equation and compiled into a program to calculate reaction rates for a variety of starting conditions.
Gasoline reforming is the catalytic process used to change the composition of gasoline. It is largely aimed at enhancing the performance of the gasoline and reducing the percentage of harmful components. Reactions include: paraffin cracking and hydrocracking, paraffin isomerization, paraffin dehydrocyclization, and naphthene isomerization and dehydrogenation. A Re-Pt/Al2O3 is typically used to facilitate these reactions.