Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study

Zheng-Tao Wu; Jia-Jia Zhou

doi:10.1007/s10118-019-2279-z

Your Location：

Home >

Browse articles >

Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study

ARTICLE | Updated：2021-02-18

- Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study
- Chinese Journal of Polymer Science Vol. 37, Issue 12, Pages: 1298-1304(2019)
- Affiliations：
  
  a.College of Engineering, Zhejiang Normal University, Jinhua 321004, China
  b.School of Chemistry, Beihang University, Beijing 100191, China
- Author bio：
  
  jjzhou@buaa.edu.cn
- Funds：
- DOI：10.1007/s10118-019-2279-z
  CLC：
- Received：24 March 2019，
  
  Revised：2019-4-15，
  
  Accepted：18 April 2019，
  
  Online First：04 June 2019，
  
  Published：2019-12
- Accepted：
Scan QR Code
Wu, Z. T.; Zhou, J. J. Mechanical properties of interlocked-ring polymers: A molecular dynamics simulation study. Chinese J. Polym. Sci. 2019, 37, 1298–1304.

Zheng-Tao Wu, Jia-Jia Zhou. Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study[J]. Chinese Journal of Polymer Science, 2019, 37(12): 1298-1304.
Wu, Z. T.; Zhou, J. J. Mechanical properties of interlocked-ring polymers: A molecular dynamics simulation study. Chinese J. Polym. Sci. 2019, 37, 1298–1304. DOI： 10.1007/s10118-019-2279-z.

Zheng-Tao Wu, Jia-Jia Zhou. Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study[J]. Chinese Journal of Polymer Science, 2019, 37(12): 1298-1304. DOI： 10.1007/s10118-019-2279-z.

摘要

Abstract

Interlocked-ring polymers

also known as polycatenanes

possess an interesting molecular architecture. These polymers are composed of many interlocked rings in a linear chain. The topological constrain between neighboring rings distinguishes the interlocked-ring polymer from its linear counterpart. Here we present extensive molecular dynamic simulations on the interlocked-ring polymers and analyze the static properties of the polymer. By applying external forces to the polymer

we also study the force-extension curves of the polymer

which provides rich information about the mechanical properties of the interlockedring polymers.

关键词

Keywords

references

de Gennes, P. G. in Scaling concepts in polymer physics . Cornell University Press, Ithaca, 1979 .

Doi, M.; Edwards, S. F. in The theory of polymer dynamics . Clarendon Press, Oxford, 1994 .

Lang, M.; Fischer, J.; Sommer, J. U . Effect of topology on the conformations of ring polymers . Macromolecules , 2012 . 45 7642 - 7648 . DOI: 10.1021/ma300942a http://doi.org/10.1021/ma300942a .

Lang, M.; Fischer, J.; Werner, M.; Sommer, J. U . Swelling of Olympic gels . Phys. Rev. Lett. , 2014 . 112 238001 DOI: 10.1103/physrevlett.112.238001 http://doi.org/10.1103/physrevlett.112.238001 .

Fischer, J.; Lang, M.; Sommer, J. U . The formation and structure of Olympic gels . J. Chem. Phys. , 2015 . 143 243114 DOI: 10.1063/1.4933228 http://doi.org/10.1063/1.4933228 .

Arunachalam, M.; Gibson, H. W . Recent developments in polypseudorotaxanes and polyrotaxanes . Prog. Polym. Sci. , 2014 . 39 1043 - 1073 . DOI: 10.1016/j.progpolymsci.2013.11.005 http://doi.org/10.1016/j.progpolymsci.2013.11.005 .

Noda, Y.; Hayashi, Y.; Ito, K . From topological gels to slide-ring materials . J. Appl. Polym. Sci. , 2014 . 131 40509 .

Niu, Z. B.; Gibson, H. W . Polycatenanes . Chem. Rev. , 2009 . 109 6024 - 6046 . DOI: 10.1021/cr900002h http://doi.org/10.1021/cr900002h .

Pakula, T.; Jeszka, K . Simulation of single complex macromolecules. 1. Structure and dynamics of catenanes . Macromolecules , 1999 . 32 6821 - 6830 . DOI: 10.1021/ma990248c http://doi.org/10.1021/ma990248c .

Wu, Q.; Rauscher, P. M.; Lang, X. L.; Wojtecki, R. J.; de Pablo, J. J.; Hore, M. J. A.; Rowan, S. J . Poly[ n ]catenanes: Synthesis of molecular interlocked chains . Science , 2017 . 358 1434 - 1439 . DOI: 10.1126/science.aap7675 http://doi.org/10.1126/science.aap7675 .

Rauscher, P. M.; Rowan, S. J.; de Pablo, J. J . Topological effects in isolated poly[ n ]catenanes: Molecular dynamics simulations and rouse mode analysis . ACS Macro Lett. , 2018 . 7 938 - 943 . DOI: 10.1021/acsmacrolett.8b00393 http://doi.org/10.1021/acsmacrolett.8b00393 .

Kremer, K.; Grest, G. S . Dynamics of entangled linear polymer melts: A molecular-dynamics simulation . J. Chem. Phys. , 1990 . 92 5057 DOI: 10.1063/1.458541 http://doi.org/10.1063/1.458541 .

Weeks, J. D.; Chandler, D.; Andersen, H. C . Role of repulsive forces in determining the equilibrium structure of simple liquids . J. Chem. Phys. , 1971 . 54 5237 DOI: 10.1063/1.1674820 http://doi.org/10.1063/1.1674820 .

Swope, W. C.; Andersen, H. C.; Berens, P. H.; Wilson, K. R . A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters . J. Chem. Phys. , 1982 . 76 637 DOI: 10.1063/1.442716 http://doi.org/10.1063/1.442716 .

Allen, M. P.; Tildesley, D. J. in Computer simulation of liquids . 2 nd ed., Clarendon Press, Oxford, 2017 .

Frenkel, D.; Smit, B. in Understanding molecular simulation . 2 nd ed., Academic Press, 2002 .

Plimpton, S . Fast parallel algorithms for short-range molecular dynamics . J. Comput. Phys. , 1995 . 117 1 - 19 . DOI: 10.1006/jcph.1995.1039 http://doi.org/10.1006/jcph.1995.1039 .

Rubinstein, M.; Colby, R. H. in Polymer physics . Oxford University Press, Oxford, 2003 .

Odijk, T . Stiff chains and filaments under tension . Macromolecules , 1995 . 28 7016 - 7018 . DOI: 10.1021/ma00124a044 http://doi.org/10.1021/ma00124a044 .

Views

574

Downloads

CSCD

Alert me when the article has been cited

Submit

Tools

Publicity Resources

Exploring Nonlinear Rheological Behaviors in Entangled Semi-flexible Polymer Melts

Sliding Dynamics of Ring Chain on a Rod-Coil Block Copolymer in Rotaxane

Spontaneous Gauged O(N) Symmetry Breaking in Polymer Crystallization

2026-9 Contents

On-demand Peelable UV-curable Adhesives with Superior Bonding Strength: Rational Molecular Engineering of Cohesion-adhesion Synergy

Related Author

Li-Cheng Ma

Yong-Jin Ruan

Zhen-Hua Wang

Yu-Yuan Lu

Li-Jia An

Si-Yi Yan

Xiang-Hong Wang

Ke Li

Related Institution

State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences

School of Applied Chemistry and Engineering, University of Science and Technology of China

Department of Physics, Wenzhou University

Shanghai Technical Institute of Electronics & Information

College of Electronics and Information Engineering, Shanghai University of Electric Power

⁰