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Synthesis of Shape-Memory Polyurethanes: Combined Experimental and Simulation Studies

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cris.lastimport.scopus2024-02-12T19:54:24Z
dc.abstract.enThe presented research focuses on the synthesis and structure–properties relationship of poly(carbonate‐urea‐urethane) (PCUU) systems including investigations on shape memory effect capability. Furthermore, we approached the topic from a broader perspective by conducting extensive analysis of the relationship between the synthesized compounds and the results of computer simulations by means of the Monte Carlo method. For the first time, by using a unique simulation tool, the dynamic lattice liquid model (DLL), all steps of multi‐step synthesis of these materials were covered by the simulations. Furthermore, broad thermal, mechanical, and thermomechanical characterization of synthesized PCUUs was performed, as well as determining the shape memory properties. PCUUs exhibited good mechanical properties with a tensile strength above 20 MPa, elongation at break around 800%, and an exhibited shape memory effect with shape fixity and shape recovery ratios above 94% and 99%, respectively. The dynamic lattice liquid model was employed to show the products and their molar mass distribution, as well as monomer conversion or the dispersity index for individual reaction steps. The results obtained in the following manuscript allow the planning of syntheses for the PCUUs of various structures, including crosslinked and soluble systems, which can provide a broad variety of applications of these materials, as well as a better understanding of the composition–properties relationship.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorSikorski, Andrzej
dc.contributor.authorPolanowski, Piotr
dc.contributor.authorFray, Miroslawa El
dc.contributor.authorGorący, Krzysztof
dc.contributor.authorBalk, Maria
dc.contributor.authorWołosz, Dominik
dc.contributor.authorParzuchowski, Paweł G.
dc.contributor.authorMazurek-Budzyńska, Magdalena
dc.contributor.authorRolińska, Karolina
dc.date.accessioned2024-01-26T09:26:56Z
dc.date.available2024-01-26T09:26:56Z
dc.date.copyright2022-06-25
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number13
dc.description.versionFINAL_PUBLISHED
dc.description.volume23
dc.identifier.doi10.3390/IJMS23137064
dc.identifier.issn1422-0067
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/121317
dc.identifier.weblinkhttps://www.mdpi.com/1422-0067/23/13/7064/pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofInternational Journal of Molecular Sciences
dc.relation.pages7064
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.endynamic liquid lattice
dc.subject.enMonte Carlo
dc.subject.enoligocarbonate diols
dc.subject.enpoly(carbonate‐urethane‐urea)s
dc.subject.enshape‐memory
dc.titleSynthesis of Shape-Memory Polyurethanes: Combined Experimental and Simulation Studies
dc.typeJournalArticle
dspace.entity.typePublication