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Dissipative particle dynamics simulation of onion phase in star-block copolymer

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Abstract

A dissipative particle dynamics simulation technique was used to investigate the effect of molecular architecture of star-block copolymer on the patterned structure in a nanodroplet. With increasing the ratio of solvophilic to block length to solvophobic block length(R H/T), solvophobic sphere, ordered hexagonal phase, onion phase, perforated onion phase and flocculent phase are formed, respectively. Since onion phase has potential application in controlled drug release, it has received wide attention experimentally and theoretically. Our simulation indicates onion phase forms at a certain R H/T(close to but less than 1). A star-block copolymer molecule has two conformations in onion phase: either fully located in a shell or shared by two neighboring shells. Central structure affects onion’s final shape. The molecular number of the copolymer in each shell is a quadratic function of the shell’s radius. The arm number of star-block copolymer has little influence on onion’s structure, but slightly affects the solvent content. Additionally, we studied the influence of arm length on onion’s structure.

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Authors and Affiliations

  1. College of Chemistry and Materials Sciences, Sichuan Normal University, Chengdu, 610068, P. R. China

    Shao-gui Wu & Ting-ting Du

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  1. Shao-gui Wu
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  2. Ting-ting Du
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Correspondence to Shao-gui Wu.

Additional information

Supported by the National Natural Science Foundation of China(No.51209024), the Science and Technology Plan of Sichuan Province, China(No.2010JY0122), the Science Research Fund of Sichuan Normal University, China(No.10MSL02) and 251 Key Talent Program of Sichuan Normal University, China.

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Wu, Sg., Du, Tt. Dissipative particle dynamics simulation of onion phase in star-block copolymer. Chem. Res. Chin. Univ. 29, 171–176 (2013). https://doi.org/10.1007/s40242-013-2042-x

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  • DOI: https://doi.org/10.1007/s40242-013-2042-x

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