Static and dynamic properties of grafted ring polymer: molecular dynamics simulation
He Su-Zhen (何素贞)a b, Holger Merlitz (候格)a c, Su Chan-Fei (苏婵菲)a, Wu Chen-Xu (吴晨旭)a
a Department of Physics and ITPA, Xiamen University, Xiamen 361005, China;
b Department of Electronic Engineering, Putian University, Putian 351100, China;
c Leibniz-Institut fürPolymerforschung Dresden, Dresden 01069, Germany
Abstract The static and dynamic properties of a system of end-grafted flexible ring polymer chains grafted to a flat substrate and exposed to a good solvent are studied by a molecular dynamics method. The monomers are described by a coarse-grained bead-spring model. Varying the grafting density ρ and the degree of polymerization or chain length N, we obtain the density profiles of monomers, study the structural properties of the chain (radius of gyration, bond orientational parameters, etc.), and also present the dynamic characteristics such as chain energy and bond force. Compared with linear polymer brush, the ring polymer brush exhibits different static and dynamic properties for moderate or short chain length, while it behaves like linear polymer brush in the regime of long chain length.
He Su-Zhen (何素贞), Holger Merlitz (候格), Su Chan-Fei (苏婵菲), Wu Chen-Xu (吴晨旭) Static and dynamic properties of grafted ring polymer: molecular dynamics simulation 2013 Chin. Phys. B 22 016101
[1]
Netz R R and Schick M 1998 Macromlecules. 31 5105
[2]
Alexander S 1977 J. Phys. 38 977
[3]
de Gennes P G 1980 Macromolecules. 13 1069
[4]
Semenov A N 1985 Sov. Phys. JETP 61 733
[5]
Milner S T, Witten T A and Cates M 1988 Macromolecules. 21 2610
[6]
Wijmans C M, Scheutjens J M H M and Zhulina E B 1992 25 2657
[7]
Amoskov V M and Pryamitsyn V A 1994 J. Chem. Soc. Faraday Trans. 90 889
[8]
Shim D F K and Cates M E 1989 J. Phys. 50 3535
[9]
Borisov O V, Leermakers F A M, Fleer G J and Zhulina E B 2001 J. Chem. Phys. 114 7700
[10]
Biesheuvel P M, de Vos W M and Amoskov V M 2008 Macromolecules. 41 6254
[11]
Matsen M W 2004 J. Chem. Phys. 121 1938
[12]
Lai P Y and Halperin A 1991 Macromolecules. 24 4981
[13]
He S Z, Merlitz H, Chen L, Sommer J U and Wu C X 2010 Macromolecules. 43 7845
[14]
Chen L, Merlitz H, He S Z, Sommer J U and Wu C X 2011 Macromolecules. 44 3109
[15]
Zhang L X and Shen Y 2008 Chin. Phys. B. 17 1480
[16]
Hur K, Winkler R G and Yoon D Y 2006 Macromolecules. 39 3975
[17]
Klein A 1990 Macromolecules. 23 2984
[18]
Di Marzio E A 1993 Macromolecules. 26 4613
[19]
Stratouras G K and Kosmas M K 1991 Macromolecules. 24 6754
[20]
Plimpton S J 1995 J. Comput. Phys. 117 1
[21]
Kremer K 1990 J. Chem. Phys. 92 5057
[22]
Halperin A, Tirrell M and Lodge T 1992 Adv. Polym. Sci. 100 31
Effect of spatial heterogeneity on level of rejuvenation in Ni80P20 metallic glass Tzu-Chia Chen, Mahyuddin KM Nasution, Abdullah Hasan Jabbar, Sarah Jawad Shoja, Waluyo Adi Siswanto, Sigiet Haryo Pranoto, Dmitry Bokov, Rustem Magizov, Yasser Fakri Mustafa, A. Surendar, Rustem Zalilov, Alexandr Sviderskiy, Alla Vorobeva, Dmitry Vorobyev, and Ahmed Alkhayyat. Chin. Phys. B, 2022, 31(9): 096401.
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
