Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films |
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| Authors: | Yi Xu Xiao-yu Song Zhang Zhang Yong Wang Jie Chen and Xian Zhu |
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| Affiliation: | Department of Chemical Engineering and Technology, School of Environmental and Chemical Engi-neering, Shanghai University, Shanghai 200444, China;School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China;Department of Chemical Engineering and Technology, School of Environmental and Chemical Engi-neering, Shanghai University, Shanghai 200444, China;Department of Chemical Engineering and Technology, School of Environmental and Chemical Engi-neering, Shanghai University, Shanghai 200444, China;Department of Chemical Engineering and Technology, School of Environmental and Chemical Engi-neering, Shanghai University, Shanghai 200444, China;Department of Chemical Engineering and Technology, School of Environmental and Chemical Engi-neering, Shanghai University, Shanghai 200444, China |
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| 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. |
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| Keywords: | Diblock copolymer film Microscopic property Dissipative particle dynamics |
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