Grafted Dipolar Chains: Dipoles and Restricted Freedom Lead to Unexpected Hairpins

• DOI: 10.1021/acs.macromol.9b02288
• Publication Date: 2020-01-02T20:24:43Z
• Authors: Artyom D. Glova; Sergey V. Larin; Victor M. Nazarychev; Mikko Karttunen; Sergey V. Lyulin
• Keywords: 02 engineering and technology; 0210 nano-technology

We use atomistic molecular dynamics simulations to investigate the structure of oligohydroxybutyrate (OHB) and oligolactide (OLA) chains grafted onto cellulose nanocrystals (CNCs) in melts of polyh...