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Driven injection of a polymer into a spherical cavity: A Langevin dynamics simulation study |
| Chao Wang(王超)1,†, Fan Wu(吴凡)1, Xiao Yang(杨肖)1, Ying-Cai Chen(陈英才)1, and Meng-Bo Luo(罗孟波)2 |
1 Department of Physics, Taizhou University, Taizhou 318000, China;
2 Department of Physics, Zhejiang University, Hangzhou 310027, China |
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Abstract The injection of a self-avoiding flexible polymer into a spherical cavity under a driving force is studied by using Langevin dynamics simulation. For given polymer length (N) and driving force (f), the polymer can be completely injected into the cavity only when the radius of the cavity is larger than a transition radius (ReC). The dependence of ReC on N and f can be described by a scaling relation ReC∝N1/3f-δ. The value of δ changes from 4/15 in the small f region to 1/6 in the moderate f region due to the screening of the excluded-volume interaction between monomers. We find the complete injection time (τ) decreases monotonously with increasing the cavity radius or decreasing the polymer length. The simulation results are in good agreement with the theoretical predictions from the free energy analysis and a simple kinetic model.
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Received: 06 January 2021
Revised: 27 April 2021
Accepted manuscript online: 08 May 2021
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PACS:
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82.35.Lr
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(Physical properties of polymers)
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82.20.Wt
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(Computational modeling; simulation)
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82.37.-j
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(Single molecule kinetics)
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| Fund: Project supported by the Natural Science Foundation of Zhejiang Province, China (Grant No. LY20A040004) and the National Natural Science Foundation of China (Grant Nos. 11604232 and 11974305). |
Corresponding Authors:
Chao Wang
E-mail: chaowang0606@126.com
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Cite this article:
Chao Wang(王超), Fan Wu(吴凡), Xiao Yang(杨肖), Ying-Cai Chen(陈英才), and Meng-Bo Luo(罗孟波) Driven injection of a polymer into a spherical cavity: A Langevin dynamics simulation study 2021 Chin. Phys. B 30 108202
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