Dissipative Particle Dynamics Simulation of Onion Phase in Star-block Copolymer

doi:10.1007/s40242-013-2042-x

Chemical Research in Chinese Universities ›› 2013, Vol. 29 ›› Issue (1): 171-176.doi: 10.1007/s40242-013-2042-x

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Dissipative Particle Dynamics Simulation of Onion Phase in Star-block Copolymer

WU Shao-gui, DU Ting-ting

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

Received:2012-02-13 Revised:2012-05-21 Online:2013-02-01 Published:2013-01-23
Supported by:
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.

Abstract

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.

Key words: Star-block copolymer, Dissipative particle dynamics, Onion phase

WU Shao-gui, DU Ting-ting. Dissipative Particle Dynamics Simulation of Onion Phase in Star-block Copolymer[J]. Chemical Research in Chinese Universities, 2013, 29(1): 171-176.

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Dissipative Particle Dynamics Simulation of Onion Phase in Star-block Copolymer

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