Citation: Yu Fu, Fan Wu, Jian-Hua Huang, Ying-Cai Chen, Meng-Bo Luo. Simulation Study on the Extension of Semi-flexible Polymer Chains in Cylindrical Channel[J]. Chinese Journal of Polymer Science, ;2019, 37(12): 1290-1297. doi: 10.1007/s10118-019-2291-3 shu

Simulation Study on the Extension of Semi-flexible Polymer Chains in Cylindrical Channel

Yu Fu ^a ,
Fan Wu ^a ,
Jian-Hua Huang ^b ,
Ying-Cai Chen ^c ,
Meng-Bo Luo ^a,,

a.
Zhejiang Province Key Laboratory of Quantum Technology and Device, Department of Physics, Zhejiang University, Hangzhou 310027, China
b.
Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, China
c.
Department of Physics, Taizhou University, Taizhou 318000, China

Corresponding author: Meng-Bo Luo,
Received Date: 13 March 2019
Revised Date: 9 May 2019
Available Online: 28 June 2019

The scaling relations among the mean end-to-end distance of polymer along the channel <R_||>, the polymer length N, and the effective diameter of channel D_e were investigated for flexible and semi-flexible polymer chains confined in long cylindrical channels. For the flexible polymer chain, scaling relation <R_||> ~ ND_e^–0.7 was found in the classic de Gennes regime at l_p²/b < D_e < R_g with l_p the persistence length, b the bond length, and R_g the radius of gyration of polymer. For the semi-flexible polymer, <R_||> ~ ND_e^–1 in the transition regime l_p < D_e < xl_p (x > 1) and <R_||> ~ D_e^–0.7 in the classic de Gennes regime at larger D_e > xl_p were observed. The simulation results revealed that the scaling relation in the transition regime was due to the rod-like behavior of the semi-flexible polymer in the small regime l_p < D_e < xl_p.
- Semi-flexible polymer,
- Cylindrical channel,
- Conformation,
- Scaling relation,
- Monte Carlo simulation
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