Model-based design for polymeric material applications
The application properties of polymeric materials and specifically fibrous materials are determined by (i) the composition and topology of individual polymer molecules at the molecular scale; (ii) the morphological interactions at the meso-scale defining the polymer microstructure; (iii) and macroscopic features at the macro-scale, hence, final product scale. A true design of these materials requires a fundamental understanding of both the polymer synthesis and the polymer (post)processing steps. The transition from chemicals to the final application needs to be studied via a modular approach, starting from the basic chemicals and evaluating the full circularity at the final product level (e.g. solar cell, drug delivery device or packaging material). Since phenomena at different scales, ranging from the molecular to the macroscopic scale, are occurring with many parameters influencing the material performance, a multi-scale modelling approach is highly recommended. Together with ...