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Monte Carlo simulation of the coil -to -globule transition of compact polymer chains: role of monomer interacting
Jiaye Su
Author NameAffiliationE-mail
Jiaye Su Department of Applied Physics, Nanjing University of Science and Technology, Nanjing, Jiangsu 210094, China. jysu@njust.edu.cn 
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
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