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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 58: Polymer Networks and Elastomers

CPP 58.7: Vortrag

Freitag, 31. März 2023, 11:15–11:30, ZEU 255

Thermal Conductivity of Semicrystalline Polymer Networks: Crystallinity or Cross-Linking? — •Manoj Kumar Maurya¹, James Wu², Manjesh Kumar Singh¹, and Debashish Mukherji² — ¹Department of Mechanical Engineering, Indian Institute of Technology Kanpur, Kanpur, UP 208016, India — ²Quantum Matter Institute, University of British Columbia, Vancouver, BC V6T 1Z4, Canada

Understanding the heat flow in polymers is at the onset of many developments in designing advanced functional materials. Here, however, amorphous linear polymers usually exhibit a very low thermal conductivity κ, often hindering their broad applications. In this context, two common routes to increase κ are via semicrystallinity and cross-linking. It can therefore be inferred that the combination of these two effects may result in a further increase of κ with respect to the systems where only one of these two effects is important. Using molecular dynamics simulations, we investigate κ in semicrystalline polymer networks. Contrary to a prior understanding, we show that a combination of cross-linking and crystallinity does not always increase κ. Instead, a delicate competition between the lattice periodicity, the cross-linker types, and the bond density dictates the tunability of κ in these complex macromolecular systems. These results are also compared with the existing experiments.