Rheokinetics and reactive modelling for advanced processing of reversible polymer networks
ID
MSCA-19-Brancart01
Supervisors
Project description
The expertise of the Physical Chemistry and Polymer Science (FYSC) research group lies in the study of structure-processing-property relations of many material classes, with a large focus on polymer materials. At FYSC a software has been developed that supports the study of reaction kinetics of step-growth polymerizations, e.g. epoxy-amine and poly-urethane reactions. This software is very versatile, allowing the determination of kinetic parameters (pre-exponential factors and activation energies) and derived thermodynamic parameters (enthalpies and entropies of reaction). This software allows simulation of the progress of reaction, related heat effects, the molecular weight development and related property development (viscosity, elastic modulus), based on experimental data and models present in the software.
This software has been crucial for the development and study of reversible network polymerization using the reversible Diels-Alder cycloaddition reaction. The reaction conversion and related properties of the formed polymer networks are a complex function of time and temperature. The software allows simulation of the properties of these reversible polymer networks (RPN), facilitating the processing and manufacturing of these stimuli-responsive materials and supporting the application. Recent explorative studies have demonstrated the possibility to extrude filaments from the in-house developed RPN for fused deposition modelling (FDM) of soft robotic devices. The reaction kinetics of the RPN are well-understood, however, a detailed understanding of the rheological processes during processing (reactive filament extrusion) and manufacturing (3D printing) are required to improve the quality of the produced filaments and the properties of the manufactured products. This knowledge will allow for more control over the processing and manufacturing conditions and optimization thereof in view of materials and resulting products. It will also facilitate further development of more complex manufacturing techniques, e.g. combining materials with different properties or the production of polymer composites.
A combination of advanced thermal analysis (DSC, rheometry and DMA) and molecular characterization (GPC and 1HNMR) techniques will provide experimental data to feed the software to build reliable models for the structure-property relations. Modelling of processing and manufacturing techniques adds an extra dimension to the structure-processing-property relations. The in-house developed rheoDSC allows acquisition of calorimetric data in junction with rheological information. This technique will prove valuable to study the effect of processing conditions on the property development and to link the property development to the structure formation in the material.
About the research Group
Physical Chemistry and Polymer Science
The research activities of the research group Physical Chemistry and Polymer Science are focused on molecular and supra¬molecular structure–processing-property relations in synthetic, bio-based or natural polymers for developing sustainable materials with improved performance. A unique collection of physicochemical analytical techniques and characterization procedures is available for this purpose. Novel macromolecular materials are designed by polymer synthesis, either in-house or in collaboration with external partners.A contribution to the international progress of thermal analysis for materials’ characterization is aimed at, extending the instrument range to:
- techniques for measuring transitions more sensitively: modulated temperature differential scanning calorimetry, micro- and nanocalorimetry,
- faster techniques suitable for thin films and ultra-small samples: ultra fast scanning chip-based methods,
- techniques permitting analyses on a smaller lateral scale: spatially localized thermal analysis at the micro- and nanometer level using atomic force microscopy based methods,
- novel in-house developed hyphenated thermal techniques permitting combinations of measurements on a single sample.