(560ie) Demonstrating the Power of Custom Modeling Integrated into Flowsheet Simulation

Authors: 
Haghpanah, R. - Presenter, The Dow Chemical Company
Bergman, E., The Dow Chemical Company
Metzler, B., The Dow Chemical Company
Various custom modeling tools are available to model chemical reactors using experimental kinetic data and governing equations. Integration of these powerful models into useful flowsheet simulations can be challenging to implement, but the user-friendly interface offered by gPROMS provided the opportunity to utilize an integrated modeling approach in one platform. We set out to demonstrate the level of accuracy and illustrative power that can be achieved when a custom reactor model is integrated with a flowsheet simulation.

This presentation will present some examples of utilizing this approach in heterogeneous hydrosilylation chemistries within Dow Performance Silicones. Reaction kinetic data was experimentally generated and used in a scalable high-fidelity custom reactor model which numerically solves the governing equations for the fluid and solid phases. The reactor model was then connected to other unit operations within an integrated flowsheet using gPROMS. Complex scenarios of interest can be modeled to help mitigate risk and build the business case for process changes. This integrated approach also requires a lesser investment of time and resources compared to a non-integrated approach. Examples to be presented include capacity improvements through debottlenecking and process changes to maximize catalyst life. This application of an integrated modeling approach demonstrates its power to unlock improvements in process capacity, cost, product quality, and process safety.