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Temperature dependence of microscopic properties in diblock copolymer films:A dissipative particle dynamics simulation

Temperature dependence of microscopic properties in diblock copolymer films:A dissipative particle dynamics simulation
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摘要 Temperature dependence of microscopic properties in diblock copolymer films has been investigated by dissipative particle dynamics simulations. Results show the relation between mean-square bond length (MSBL) and system temperature can be described as a quadratic curve. The root-mean-square radius of gyration (RMSGR) and end-end distance (RMSED) increase gradually as the temperature rises and composition fraction changes from 0.1 to 0.5, in which the effect of the former is primary. Especially, the relation between RMSGR and temperature is nearly linear in the confinement-introduced direction. Density distribution of each component in the films can be controlled and adjusted effectively by its interaction with other components and boundaries. Moreover, the changes of system temperature and composition fraction can both affect the density distributions to a certain extent. Temperature dependence of microscopic properties in diblock copolymer films has been investigated by dissipative particle dynamics simulations. Results show the relation between mean-square bond length (MSBL) and system temperature can be described as a quadratic curve. The root-mean-square radius of gyration (RMSGR) and end-end distance (RMSED) increase gradually as the temperature rises and composition fraction changes from 0.1 to 0.5, in which the effect of the former is primary. Especially, the relation between RMSGR and temperature is nearly linear in the confinement-introduced direction. Density distribution of each component in the films can be controlled and adjusted effectively by its interaction with other components and boundaries. Moreover, the changes of system temperature and composition fraction can both affect the density distributions to a certain extent.
出处 《Journal of Shanghai University(English Edition)》 CAS 2010年第4期255-261,共7页 上海大学学报(英文版)
基金 Project supported by the Shanghai Leading Academic Discipline Project(Grant No.S30109) the Research and Development Special Fundation of Excellent Young Teachers of Universities in Shanghai,the Developmental Foundation of Scientific Technology of Shanghai University the Innovation Foundation of Shanghai University
关键词 diblock copolymer films microscopic properties dissipative particle dynamics diblock copolymer films, microscopic properties, dissipative particle dynamics
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参考文献42

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