Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the det...Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated.We find that the structure is not a perfect helix,but a bundle of elliptical turns.In addition,we conduct a statistical analysis for the chain monomer distribution along the radial direction.This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11504033 and 11404290)the General Research Fund of Hong Kong Research Council of China(Grant No.15301014)
文摘Molecular dynamics method is used to study the conformation behavior of a semi-flexible polymer chain confined in a cylinder channel.A novel helix-like structure is found to form during the simulation.Moreover,the detailed characteristic parameters and formation probability of these helix-like structures under moderate conditions are investigated.We find that the structure is not a perfect helix,but a bundle of elliptical turns.In addition,we conduct a statistical analysis for the chain monomer distribution along the radial direction.This research contributes to our understanding of the microscopic conformation of polymer chains in confined environments filled with a solvent.
