(662h) Modeling & Simulation Trends and Application of Optimization in Polymerization Processes

Innovations in process modeling technologies and tools for the polymer processes evolved recently. Key innovations in various polymer process modeling technologies have emerged and made it possible to develop high fidelity polymer process models that can be used for process design and process optimization. The use of process modeling technology in the polymer industry has been rare till recent past. The modeling scope was limited to the expertise domains of modeling i.e., polymer reaction engineering and reactor modeling. Mathematical modeling is a powerful tool for the development of process understanding in polymerization.

The modeling functionalities to address key polymer modeling issues and challenges majorly include polymer molecular structure, polymerization reaction engineering, phase equilibrium, mass transfer, parameter estimation, structure-property relationship etc. Due to the complex nature of polymer chemistry and physics, there are still many unsolved modeling issues and opportunities for future innovations.

This work focuses on the establishment of fundamental modeling concepts relevant to catalysis & polymer processing and presents a critical review on recent modeling and simulation trends along with applications of various optimization approaches.