Structure-Property Relationship between Hard Segments of Shape Memory Polyurethane Copolymers and Interchain Hydrogen Bonds: A Comprehensive Theoretical Study.

ABSTRACT: Shape memory polymers have received increased interest from the scientific community, because of their extraordinary properties. Interchain hydrogen bonds play an important role in the shape memory property of polyurethane copolymers. This paper provides a comprehensive description of the interchain interactions' network of Hard Segments within shape memory polyurethane copolymers. Model systems included Hard Segments of different chemical compositions, mainly based on hexamethylene diisocyanate (HDI), dicyclohexylmethane-4,4'-diisocyanate (HMDI), toluene-2,4-diisocyanate (TDI), and diphenylmethane-4,4'-diisocyanate (MDI). Ab initio molecular dynamics was used to describe the reorganization of interchain hydrogen bonds, while the character and strength of hydrogen bonds were determi

SUBMITTER: Didovets Y 

PROVIDER: S-EPMC12516715 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature