(200e) Molecular Kinetic Modeling in Hydrocracking

Hydrocracking is in an exceedingly competitive commercial environment which necessitates licensors to provide increasingly sophisticated technical solutions. In recent years, hydrocracking solutions have expanded to catalyst stacking options, configuration studies and flexible product objectives. Next generation discoveries will depend on the ability to understand how different molecules interact with different catalysts and materials.

Historic limitations in analytical capabilities have driven most to implement lumped kinetic models where the molecules are grouped by their physical properties such as boiling point. While this approach enables accurate estimates of product yields within the scope of experimental data used to generate the model, it inevitably obscures molecular information due to multicomponent nature of each lump rendering the model without predictive capability for variable feeds, process configurations and materials.

While molecular kinetic models offer the potential to be predictive, they are immensely difficult to construct due to the vast number of species, reactions and associated rate constants. Recent advancements in analytical capabilities to enhance feed and product characterization as well as developments of mathematical methods to reduce the number of rate constants have made it possible to attempt feedstock-independent models that care applicable in around the commercially relevant feed and process conditions.

In this talk, hydrocracking molecular kinetic modeling and it’s applications will be presented. Case studies will be shown to demonstrate the capabilities of the model in development of novel technical solutions.