A multi-scale tool for functionalization of polyolefins through radical grafting

Free radical induced grafting of polymers is an important synthesis strategy to improve the properties of the pristine polymer and to ensure compatibility in blends. In this contribution, a multi-scale modeling tool is presented that enables to describe the grafting kinetics with a detailed description at the molecular, micro- and meso-scale combined with a 1D macro-scale reactor model. The potential of the model is illustrated with polyolefins as polymer substrate, including model validation to lab-scale and industrial scale data. It is highlighted that the model is indispensable to achieve the optimal process conditions for improved process intensification and functionality/molecular control.