C3M Seminar : FARDIN KHABAZ (University of Akron, USA)

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1er juin 2023 11:00 » 13:00 — Boreau

Unraveling the Network Properties of Ionomers : Insights from Molecular Dynamics on Glass Transition, Structure, and Dynamics

Ionomers, intriguing materials composed of polymers with ionic groups, exhibit diverse network properties that significantly impact their behavior and functionality. In this talk, we focus on two distinct ionomer architectures : (1) pendant, where the anions are free to move, and (2) bridged, where both ionic groups are attached to the polymer backbone. Through extensive Molecular Dynamics (MD) simulations, we explore the glass transition phenomenon, investigate the structural characteristics, and unravel the dynamics within these ionomer networks. Our findings reveal that bridged ionomers exhibit more pronounced network behavior, as evidenced by longer bond lifetimes compared to pendant ionomers. In addition, they exhibit a higher glass transition temperature and slower dynamics compared to pendant ionomers. We will discuss the underlying mechanisms responsible for this disparity, shedding light on the influence of architecture on the network properties of ionomers.





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