| About this Abstract |
| Meeting |
MS&T23: Materials Science & Technology
|
| Symposium
|
15th Symposium on Green and Sustainable Technologies for Materials Manufacturing and Processing
|
| Presentation Title |
Computational Methods for Designing Effective Compatibilizers for Recycled Polymer Blends |
| Author(s) |
Manav Bhati, Mohammad Atif Faiz Afzal, Andrea Browning, Mathew Halls |
| On-Site Speaker (Planned) |
Manav Bhati |
| Abstract Scope |
Recycling polymers has become increasingly crucial to address their ever-growing demand and reduce their environmental impact. However, recycling them is challenging due to the differences in their chemical properties. The additives called compatibilizers can help by making dissimilar polymers compatible. Nonetheless, not all compatibilizers work for a polymer blend, and selecting the best ones involves several experimental trials. Atomistic simulations can reduce this effort and give insights into how atomistic chemistry influences the bulk physical properties of these composites. We will present the findings from our atomistic investigation set of compatibilizers for the polypropylene-polystyrene blend. Our simulation results closely align with previous experimental data. Furthermore, we apply the simulation protocol to a new set of compatibilizers for the same blend and identify potential candidates with superior compatibility. This work demonstrates the value of physics-based simulations in guiding the experimental design of potential compatibilizers for polymer blends. |