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Molecular dynamics simulations on self-healing behavior of ionene polymer-based nanostructured hydrogels

Bertran, Oscar ; Saldías, César ; Díaz, David Díaz ; Alemán, Carlos



Abstract

The microscopic mechanism accounting for the self-healing attribute of aromatic ionene-forming hydrogels derived from 1,4-diazabicyclo [2.2.2]octane (DABCO) and N,N'-(x-phenylene)dibenzamide (x = ortho-/meta-/para-) is unknown. Interestingly, the self-healing property of such DABCO-containing hydrogels is largely dependent on the polymer topology, the ortho ionene being the only self-healable ...

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