Conformational Metastability in Hydroxylated Polymers : The Role of Intrachain Hydrogen Bond Alignment
발표자
최동근 (서강대학교)
연구책임자
성봉준 (서강대학교)
공동저자
최동근 (서강대학교), 성봉준 (서강대학교)
초록
내용
Understanding the relationship between hydrogen bond topology and polymer conformation is a central topic in soft matter physics. Here, we investigate the microscopic origin of the anomalous solubility of a novel polymer P3 , relative to its insoluble analog, PVA. We analyze the conformational dynamics of single chains using molecular dynamics simulations. We find that P3 exhibits distinct conformational metastability, in contrast to PVA, which is confined to a single collapsed state. This metastability is governed by the topology of 1-4 intrachain hydrogen bonds: a continuous alignment induces the spiral form, whereas an alternating alignment stabilizes the extended form. This topological versatility disrupts the strong self-association dominant in P3, effectively preserving a conformational ensemble of spiral and extended states. Together, these results provide a microscopic framework linking hydrogen bond topology and conformational metastability.