Study on the LCST Behavior of P(NVCL-co-VIM) Polymer at Different Temperatures Based on Molecular Dynamics Simulations
발표자
()
초록
내용
The phase behavior of polymer solutions is crucial in polymer material research, especially for temperature-responsive polymers. This study focuses on the phase behavior of P(NVCL-co-VIM) with LCST behavior at different temperatures. P(NVCL-co-VIM), a copolymer composed of NVCL and VIM monomers, demonstrates potential temperature responsiveness. Near physiological temperatures, P(NVCL-co-VIM) exhibits LCST behavior and excellent biocompatibility. This study uses Desmond molecular dynamics simulations to study the interactions between polymer chains and water molecules at different temperatures, from 290K to 350K. Simulations in an isothermal-isobaric (NPT) and canonical (NVT) ensembles for a duration of 300ns. Visualization of the results revealed the structural changes in the polymer chains and the mechanisms of phase separation more clearly. These findings not only deepen our understanding of P(NVCL-co-VIM) behavior in aqueous solutions but also provide theoretical support for its applications in the biomedical field.