|
| Abstract: |
| Coil
-to
-globule transitions are fundamental problems exited in polymer
science for several decades; however, some features are still unclear, such as the effect
of chain monomer interaction. Herein, we use Monte Carlo simulation to study the coil
-
to
-globule transition of simple compact polymer chains. We first consider the finite
-
size effects for a given monomer interaction, where the short chain exhibits a one
-step
collapse while long chains demonstrate a two
-step collapse, indicated by the specific
heat. More interestingly, with the increase of chain monomer interaction, the heat
capacity show a broad plateau instead of peaks. A closer examination from the mean
-
squared radius of gyration and shape factor suggests a smoother and less intense
collapse. These results can enhance our knowledge on the role of monomer interacting
in the collapse of polymer chains |
| Key words: Coil-to-globule, polymer, Monte Carlo |
| FundProject: |
|
| Monte Carlo simulation of the coil -to -globule transition of compact polymer chains: role of monomer interacting |
|
Jiaye Su
|
| 摘要: |
| Coil
-to
-globule transitions are fundamental problems exited in polymer
science for several decades; however, some features are still unclear, such as the effect
of chain monomer interaction. Herein, we use Monte Carlo simulation to study the coil
-
to
-globule transition of simple compact polymer chains. We first consider the finite
-
size effects for a given monomer interaction, where the short chain exhibits a one
-step
collapse while long chains demonstrate a two
-step collapse, indicated by the specific
heat. More interestingly, with the increase of chain monomer interaction, the heat
capacity show a broad plateau instead of peaks. A closer examination from the mean
-
squared radius of gyration and shape factor suggests a smoother and less intense
collapse. These results can enhance our knowledge on the role of monomer interacting
in the collapse of polymer chains |
| 关键词: Coil-to-globule, polymer, Monte Carlo |
| DOI： |
| 分类号: |