There have been a lot of attempts to represent structure-property relationship of elastomers. Although the connectivity is significant for the mechanical property, it has been hard to evaluate it quantitatively. In this presentation, network structure of heterogeneous elastomers was investigated based on network centrality, and correlation between the centrality and stress was evaluated. Heterogeneous elastomers were prepared by cross-linking of 4-arm star polymers at the chain ends using coarse-grained molecular dynamics simulations. The cross-linking points and connected chains were dealt with node and link, respectively. Therefore, closeness centrality was defined for each cross-linking point (Fig 1). Middle correlation between the closeness centrality and end-to-end distance of polymer chains, corresponding to stress in Entropy elasticity, was observed. We think the network centrality is one of the indicators to represent the structure-property relationship of heterogeneous elastomers.

Network centrality of heterogeneous elastomers and its effect on mechanical property

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.