Olefin oligomerization mechanism - BEA

This mechanism describes the kinetic parameters of olefin (C2 to C9) oligomerization over a BEA zeolite framework. The rows in this spreadsheet represent the set of reactions (e.g. elementary reaction steps, lumped reactions) that define the reaction network for this mechanism. For each, the associated kinetic parameters are shown as separate columns which can be used as foundational building blocks for the development of kinetic models.

The mechanism includes the following columns.

• Number: Unique identification number assigned to each chemical reaction.
• Reaction: Elementary reaction step.
• Reaction type: Reaction family (e.g. protonation, deprotonation, oligomerization, etc.).
• △HR,g: Reaction enthalpy in the gas phase in kcal/mol.
• △HR: Reaction enthalpy for the surface reaction in kcal/mol.
• A: Frequency factor in 1/s or 1/Pa/s depending on the reaction order.
• E0: Intrinsic energy barrier according to the Evans-Polanyi relationship in kcal/mol.
• alpha: Transfer coefficient according to the Evans-Polanyi relationship.
• Ea: Activation energy in kcal/mol.