Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study
English
Mechanical Properties of Interlocked-ring Polymers: A Molecular Dynamics Simulation Study
-
Key words:
- Polycatenanes
- / Molecular dynamics simulation
- / Force-extension
- / Entanglement
-
-
-
[1]
de Gennes, P. G. in Scaling concepts in polymer physics. Cornell University Press, Ithaca, 1979.
-
[2]
Doi, M.; Edwards, S. F. in The theory of polymer dynamics. Clarendon Press, Oxford, 1994.
-
[3]
M. Lang, J. Fischer, and J.-U. Sommer, " Effect of topology on the conformations of ring polymers,” Macromolecules 45, 7642-7648(2012). doi: 10.1021/ma300942a
-
[4]
M. Lang, J. Fischer, M. Werner, and J.-U. Sommer, " Swelling of olympic gels,” Phys. Rev. Lett. 112(2014), 10.1103/physrevlett.112.238001. doi: 10.1103/physrevlett.112.238001
-
[5]
J. Fischer, M. Lang, and J.-U. Sommer, " The formation and structure of olympic gels,” J. Chem. Phys. 143, 243114(2015). doi: 10.1063/1.4933228
-
[6]
M. Arunachalam and Harry W. Gibson, " Recent developments in polypseudorotaxanes and polyrotaxanes,” Prog. Polym. Sci. 39, 1043-1073(2014). doi: 10.1016/j.progpolymsci.2013.11.005
-
[7]
Yumiki Noda, Yuki Hayashi, and Kohzo Ito, " From topological gels to slide-ring materials,” J. Appl. Polym. Sci. 131, 40509(2014).
-
[8]
Zhenbin Niu and Harry W. Gibson, " Polycatenanes,” Chem. Rev. 109, 6024-6046(2009). doi: 10.1021/cr900002h
-
[9]
T. Pakula and K. Jeszka, " Simulation of single complex macromolecules. 1. structure and dynamics of catenanes,” Macromolecules 32, 6821-6830(1999). doi: 10.1021/ma990248c
-
[10]
Qiong Wu, Phillip M. Rauscher, Xiaolong Lang, Rudy J. Wojtecki, Juan J. de Pablo, Michael J. A. Hore, and Stuart J. Rowan, " Poly[n]catenanes: synthesis of molecular interlocked chains,” Science 358, 1434-1439(2017). doi: 10.1126/science.aap7675
-
[11]
Phillip M. Rauscher, Stuart J. Rowan, and Juan J. de Pablo, " Topological effects in isolated poly[n]catenanes: molecular dynamics simulations and rouse mode analysis,” ACS Macro Lett. 7, 938- 943(2018). doi: 10.1021/acsmacrolett.8b00393
-
[12]
Kurt Kremer and Gary S. Grest, " Dynamics of entangled linear polymer melts: a molecular-dynamics simulation,” J. Chem. Phys. 92, 5057(1990). doi: 10.1063/1.458541
-
[13]
John D. Weeks, David Chandler, and Hans C. Andersen, " Role of repulsive forces in determining the equilibrium structure of simple liquids,” J. Chem. Phys. 54, 5237(1971). doi: 10.1063/1.1674820
-
[14]
William C. Swope, Hans C. Andersen, Peter H. Berens, and Kent R. Wilson, " 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. 76, 637(1982). doi: 10.1063/1.442716
-
[15]
Allen, M. P.; Tildesley, D. J. in Computer simulation of liquids. 2nd ed., Clarendon Press, Oxford, 2017.
-
[16]
Frenkel, D.; Smit, B. in Understanding molecular simulation. 2nd ed., Academic Press, 2002.
-
[17]
Steve Plimpton, " Fast parallel algorithms for short-range molecular dynamics,” J. Comput. Phys. 117, 1-19(1995). doi: 10.1006/jcph.1995.1039
-
[18]
Rubinstein, M.; Colby, R. H. in Polymer physics. Oxford University Press, Oxford, 2003.
-
[19]
Theo Odijk, " Stiff chains and filaments under tension,” Macromolecules 28, 7016-7018(1995). doi: 10.1021/ma00124a044
-
[1]
-
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 2004
- HTML全文浏览量: 59

下载: