Yi Xu, Xiao-yu Song, Zhang Zhang, Yong Wang, Jie Chen, Xian Zhu. Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 274-280. doi: 10.1088/1674-0068/23/03/274-280
Citation: Yi Xu, Xiao-yu Song, Zhang Zhang, Yong Wang, Jie Chen, Xian Zhu. Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 274-280. doi: 10.1088/1674-0068/23/03/274-280

Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films

doi: 10.1088/1674-0068/23/03/274-280
Funds:  This work was supported by the National Natural Sci-ence Foundation of China (No.50971085), the Shanghai Science & Technology Committee (No.09JC1406100),the Shanghai Leading Academic Discipline Project(No.S30109), the Research and Development Special Fund of Excellent Young Teachers of Universities in Shanghai, the Developmental Fund of Scientific Tech-nology of Shanghai University, and the Innovation Fund of Shanghai University.
  • Received Date: 2009-12-26
  • Mean-square bond length, root-mean-square end-to-end distance and gyration radius in di-block copolymer films have been studied by dissipative particle dynamics simulations. Re-sults show evident linear trends of any property separately with the thickness of film, the interaction between particles of different types, the repulsion between particle and boundary, except for the dependence of the variations of mean-square bond length on the thickness of film, which exhibits as a wave trend. What's more, the varying trends of mean-square bond length and root-mean-square end-to-end distance can correspond to each other. The density distribution of either component in diblock copolymer film can be controlled and adjusted effectively through its interaction with boundary.
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Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films

doi: 10.1088/1674-0068/23/03/274-280
Funds:  This work was supported by the National Natural Sci-ence Foundation of China (No.50971085), the Shanghai Science & Technology Committee (No.09JC1406100),the Shanghai Leading Academic Discipline Project(No.S30109), the Research and Development Special Fund of Excellent Young Teachers of Universities in Shanghai, the Developmental Fund of Scientific Tech-nology of Shanghai University, and the Innovation Fund of Shanghai University.

Abstract: Mean-square bond length, root-mean-square end-to-end distance and gyration radius in di-block copolymer films have been studied by dissipative particle dynamics simulations. Re-sults show evident linear trends of any property separately with the thickness of film, the interaction between particles of different types, the repulsion between particle and boundary, except for the dependence of the variations of mean-square bond length on the thickness of film, which exhibits as a wave trend. What's more, the varying trends of mean-square bond length and root-mean-square end-to-end distance can correspond to each other. The density distribution of either component in diblock copolymer film can be controlled and adjusted effectively through its interaction with boundary.

Yi Xu, Xiao-yu Song, Zhang Zhang, Yong Wang, Jie Chen, Xian Zhu. Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 274-280. doi: 10.1088/1674-0068/23/03/274-280
Citation: Yi Xu, Xiao-yu Song, Zhang Zhang, Yong Wang, Jie Chen, Xian Zhu. Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 274-280. doi: 10.1088/1674-0068/23/03/274-280

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