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

Autor:	Bertran Cànovas, Òscar|||0000-0002-3689-1429, Saldías, César, Díaz Díaz, David, Alemán Llansó, Carlos|||0000-0003-4462-6075
Jazyk:	angličtina
Rok vydání:	2020
Předmět:	DABCO Econstituted hydrogels Polyelectrolyte hydrogels Materials nanoestructurats Molecular Dynamics Simulation Molecular dynamics Física::Física molecular::Física de polímers [Àrees temàtiques de la UPC] Self-healing mechanism
Zdroj:	UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC)
DOI:	10.1016/j.polymer.2020.123072
Popis:	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 without adding oppositely charged species. Authors acknowledge received funding from MINECO/FEDER (RTI2018-098951- B-I00), the Agència de Gestió d'Ajuts Universitaris i de Recerca (2017SGR359). Funding support for the research of C.A. was received through the prize “ICREA Academia” for excellence in research through the Generalitat de Catalunya. C. S. thanks Proyecto Inserción Académica (VRA UC). D. D. D. thanks the Spanish Ministry of Science, Innovation and Universities for the Senior Beatriz Galindo Award (Distinguished Researcher; EAGAL18/00166) and NANOtec, INTech, Cabildo de Tenerife and ULL for laboratory facilities
Databáze:	OpenAIRE
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