Data di Pubblicazione:
2018
Citazione:
Self-Dynamics and Collective Swap-Driven Dynamics in a Particle Model for Vitrimers / L. Rovigatti, G. Nava, T. Bellini, F. Sciortino. - In: MACROMOLECULES. - ISSN 0024-9297. - 51:3(2018), pp. 1232-1241. [10.1021/acs.macromol.7b02186]
Abstract:
We numerically investigate the self-dynamics and collective dynamics of a simple model for vitrimers-polymeric covalent networks that have the ability to dynamically rearrange the bond structure via exchange reactions, preserving the total connectivity. Specifically, we study a binary mixture of tetrafunctional and bifunctional particles by means of molecular dynamics simulations that naturally incorporate the bond-swapping mechanism. We specifically focus on the dynamics at small wavevector q by simulating 800 000 particles. We observe two distinct collective relaxation processes: (i) a fast vibrational damped mode and (ii) a slow network restructuring dynamics. Unexpectedly, the slow process is characterized by a wavevector-independent (q(0)) mode originating from the swap motion of the bonds.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
Organic Chemistry; Polymers and Plastics; Inorganic Chemistry; Materials Chemistry2506 Metals and Alloys
Elenco autori:
L. Rovigatti, G. Nava, T. Bellini, F. Sciortino
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