Citation: Yang Gu, Hui Zhang, Dong-Liang Zhang. Numerical Simulation of the Distribution Function and Free Energy of a Single Wormlike Polymer Confined between Hard Walls[J]. Chinese Journal of Polymer Science, ;2020, 38(2): 179-186. doi: 10.1007/s10118-019-2322-0 shu

Numerical Simulation of the Distribution Function and Free Energy of a Single Wormlike Polymer Confined between Hard Walls

Yang Gu ^a, ,
Hui Zhang ^b,, ,
Dong-Liang Zhang ^c,,

a.
School of Mathematics Sciences, Beijing Normal University, Beijing 100875, China
b.
Laboratory of Mathematics and Complex Systems, Ministry of Education, School of Mathematics Sciences, Beijing Normal University, Beijing 100875, China
c.
The department of Orthodontics, Beijing Stomatology Hospital Affiliated to Capital Medical University, Beijing 100006, China

Author Bio: tyguyang@126.com
Corresponding author: Hui Zhang, hzhang@bnu.edu.cn Dong-Liang Zhang, zhangdongliang@hotmail.com
Received Date: 13 May 2019
Revised Date: 19 June 2019
Available Online: 9 October 2019

We focus on the distribution and free energy of a wormlike polymer confined between two parallel hard walls. The variation in the distribution and free energy of the wormlike chain as the spacing between the walls decreases (or as the total contour length of the wormlike chain increases or as the persistence length of the chain increases) is simulated. The main reason for these changes is a degradation of the long wormlike chain into a Gaussian long chain under weak confinement.
- Wormlike polymer,
- Free energy,
- Weak confinement
1. [1]
  Li, H.; Qian, C. J.; Wang, C.; Luo, M. B. Critical adsorption of a flexible polymer confined between two parallel interacting surfaces. Phys. Rev. E Stat. Nonlin. Soft Matter Phys. 2013, 87, 012602. doi: 10.1103/PhysRevE.87.012602
2. [2]
  de Gennes, P. G. Scaling concepts in polymer physics. Cornell University Press, 1979.
3. [3]
  Odijk, T. The statistics and dynamics of confined or entangled stiff polymers. Macromolecules 1983, 16, 1340−1344. doi: 10.1021/ma00242a015
4. [4]
  Chen, J. Z. Y. Theory of wormlike polymer chains in confinement. Prog. Polym. Sci. 2016, 54-55, 3−46. doi: 10.1016/j.progpolymsci.2015.09.002
5. [5]
  Chen, J. Z. Y.; Sullivan, D. E.; Yuan, X. Model for wormlike polymers confined between hard walls. Europhys. Lett. 2005, 72, 89−95. doi: 10.1209/epl/i2005-10208-x
6. [6]
  Chen, J. Z. Y.; Sullivan, D. E. Free energy of a wormlike polymer chain confined in a slit: crossover between two scaling regimes. Macromolecules 2006, 39, 7769−7773. doi: 10.1021/ma060871e
7. [7]
  Cordeiro, C. E.; Molisana, M.; Thirumalai, D. Shape of confined polymer chains. J. De Physique II 1997, 7, 433−447. doi: 10.1051/jp2:1997136
8. [8]
  Tang, J.; Levy, S. L.; Trahan, D. W.; Jones J. J. Revisiting the conformation and dynamics of DNA in slitlike confinement. Macromolecules 2010, 43, 7368−7377. doi: 10.1021/ma101157x
9. [9]
  Fredrickson, G. H. The equilibrium theory of inhomogeneous polymers. Clarendon, 2006.
10. [10]
  Liang, Q.; Li, J.; Zhang, P.; Chen, J. Z. Modified diffusion equation for the wormlike-chain statistics in curvilinear coordinates. J. Phys. Chem. 2013, 138, 244910. doi: 10.1063/1.4811515
11. [11]
  Odijk, T. Theory of lyotropic polymer liquid crystals. Macromolecules 1986, 19, 2313−2329. doi: 10.1021/ma00163a001
12. [12]
  Smyda, M. R.; Harvey, S. C. The entropic cost of polymer confinement. J. Phys. Chem. B 2012, 116, 10928−10934. doi: 10.1021/jp302807r
1. [1]
  Zihao Wang , Jing Xue , Zhicui Song , Jianxiong Xing , Aijun Zhou , Jianmin Ma , Jingze Li . Li-Zn alloy patch for defect-free polymer interface film enables excellent protection effect towards stable Li metal anode. Chinese Chemical Letters, 2024, 35(10): 109489-. doi: 10.1016/j.cclet.2024.109489
2. [2]
  Shuangliang Xie , Yuyue Chen , Qing He , Liang Chen , Jikun Yang , Shiqing Deng , Yimei Zhu , He Qi . Relaxor antiferroelectric-relaxor ferroelectric crossover in NaNbO₃-based lead-free ceramics for high-efficiency large-capacitive energy storage. Chinese Chemical Letters, 2024, 35(7): 108871-. doi: 10.1016/j.cclet.2023.108871
3. [3]
  Min Huang , Ru Cheng , Shuai Wen , Liangtong Li , Jie Gao , Xiaohui Zhao , Chunmei Li , Hongyan Zou , Jian Wang . Ultrasensitive detection of microRNA-21 in human serum based on the confinement effect enhanced chemical etching of gold nanorods. Chinese Chemical Letters, 2024, 35(9): 109379-. doi: 10.1016/j.cclet.2023.109379
4. [4]
  Fangzhou Wang , Wentong Gao , Chenghui Li . A weak but inert hindered urethane bond for high-performance dynamic polyurethane polymers. Chinese Chemical Letters, 2024, 35(5): 109305-. doi: 10.1016/j.cclet.2023.109305
5. [5]
  Zhao Li , Huimin Yang , Wenjing Cheng , Lin Tian . Recent progress of in situ/operando characterization techniques for electrocatalytic energy conversion reaction. Chinese Chemical Letters, 2024, 35(9): 109237-. doi: 10.1016/j.cclet.2023.109237
6. [6]
  Hui Liu , Xiangyang Tang , Zhuang Cheng , Yin Hu , Yan Yan , Yangze Xu , Zihan Su , Futong Liu , Ping Lu . Constructing multifunctional deep-blue emitters with weak charge transfer excited state for high-performance non-doped blue OLEDs and single-emissive-layer hybrid white OLEDs. Chinese Chemical Letters, 2024, 35(10): 109809-. doi: 10.1016/j.cclet.2024.109809
7. [7]
  Tiankai Sun , Hui Min , Zongsu Han , Liang Wang , Peng Cheng , Wei Shi . Rapid detection of nanoplastic particles by a luminescent Tb-based coordination polymer. Chinese Chemical Letters, 2024, 35(5): 108718-. doi: 10.1016/j.cclet.2023.108718
8. [8]
  Mengjun Sun , Zhi Wang , Jvhui Jiang , Xiaobing Wang , Chuang Yu . Gelation mechanisms of gel polymer electrolytes for zinc-based batteries. Chinese Chemical Letters, 2024, 35(5): 109393-. doi: 10.1016/j.cclet.2023.109393
9. [9]
  Huimin Gao , Zhuochen Yu , Xuze Zhang , Xiangkun Yu , Jiyuan Xing , Youliang Zhu , Hu-Jun Qian , Zhong-Yuan Lu . A mini review of the recent progress in coarse-grained simulation of polymer systems. Chinese Journal of Structural Chemistry, 2024, 43(5): 100266-100266. doi: 10.1016/j.cjsc.2024.100266
10. [10]
  Dong Lv , Xuelei Liu , Wei Li , Qiang Zhang , Xinhong Yu , Yanchun Han . Single droplet formation by controlling the viscoelasticity of polymer solutions during inkjet printing. Chinese Chemical Letters, 2024, 35(6): 109401-. doi: 10.1016/j.cclet.2023.109401
11. [11]
  Jinjie Lu , Qikai Liu , Yuting Zhang , Yi Zhou , Yanbo Zhou . Antibacterial performance of cationic quaternary phosphonium-modified chitosan polymer in water. Chinese Chemical Letters, 2024, 35(9): 109406-. doi: 10.1016/j.cclet.2023.109406
12. [12]
  Zhao-Xia Lian , Xue-Zhi Wang , Chuang-Wei Zhou , Jiayu Li , Ming-De Li , Xiao-Ping Zhou , Dan Li . Producing circularly polarized luminescence by radiative energy transfer from achiral metal-organic cage to chiral organic molecules. Chinese Chemical Letters, 2024, 35(8): 109063-. doi: 10.1016/j.cclet.2023.109063
13. [13]
  Feibin Wei , Yongfang Rao , Yu Huang , Wei Wang , Hui Mei . The new challenges for the development of NH₃-SCR catalysts under new situation of energy transition in power generation industry. Chinese Chemical Letters, 2024, 35(6): 108931-. doi: 10.1016/j.cclet.2023.108931
14. [14]
  Xinyu Ren , Hong Liu , Jingang Wang , Jiayuan Yu . Electrospinning-derived functional carbon-based materials for energy conversion and storage. Chinese Chemical Letters, 2024, 35(6): 109282-. doi: 10.1016/j.cclet.2023.109282
15. [15]
  Chaoqun Ma , Yuebo Wang , Ning Han , Rongzhen Zhang , Hui Liu , Xiaofeng Sun , Lingbao Xing . Carbon dot-based artificial light-harvesting systems with sequential energy transfer and white light emission for photocatalysis. Chinese Chemical Letters, 2024, 35(4): 108632-. doi: 10.1016/j.cclet.2023.108632
16. [16]
  Qiangwei Wang , Huijiao Liu , Mengjie Wang , Haojie Zhang , Jianda Xie , Xuanwei Hu , Shiming Zhou , Weitai Wu . Observation of high ionic conductivity of polyelectrolyte microgels in salt-free solutions. Chinese Chemical Letters, 2024, 35(4): 108743-. doi: 10.1016/j.cclet.2023.108743
17. [17]
  Gongcheng Ma , Qihang Ding , Yuding Zhang , Yue Wang , Jingjing Xiang , Mingle Li , Qi Zhao , Saipeng Huang , Ping Gong , Jong Seung Kim . Palladium-free chemoselective probe for in vivo fluorescence imaging of carbon monoxide. Chinese Chemical Letters, 2024, 35(9): 109293-. doi: 10.1016/j.cclet.2023.109293
18. [18]
  Haiying Lu , Weijie Li . The electrolyte solvation and interfacial chemistry for anode-free sodium metal batteries. Chinese Journal of Structural Chemistry, 2024, 43(11): 100334-100334. doi: 10.1016/j.cjsc.2024.100334
19. [19]
  Qingyan JIANG , Yanyong SHA , Chen CHEN , Xiaojuan CHEN , Wenlong LIU , Hao HUANG , Hongjiang LIU , Qi LIU . Constructing a one-dimensional Cu-coordination polymer-based cathode material for Li-ion batteries. Chinese Journal of Inorganic Chemistry, 2024, 40(4): 657-668. doi: 10.11862/CJIC.20240004
20. [20]
  Yuanzhe Lu , Yuanqin Zhu , Linfeng Zhong , Dingshan Yu . Long-lifespan aqueous alkaline and acidic batteries enabled by redox conjugated covalent organic polymer anodes. Chinese Journal of Structural Chemistry, 2024, 43(3): 100249-100249. doi: 10.1016/j.cjsc.2024.100249

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(2376)
HTML views(82)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142