Dissipative Particle Dynamics Simulation Study on the Micellization and Gelation Behavior of PEO-PPO-PEO Solution

doi:10.7503/cjcu20121054

Chem. J. Chinese Universities ›› 2013, Vol. 34 ›› Issue (6): 1454.doi: 10.7503/cjcu20121054

• Physical Chemistry • Previous Articles Next Articles

Dissipative Particle Dynamics Simulation Study on the Micellization and Gelation Behavior of PEO-PPO-PEO Solution

XIE Yu¹, LÜ Zhong-Yuan¹, SUN Zhao-Yan², AN Li-Jia²

1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China;
2. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China

Received:2012-11-20 Online:2013-06-10 Published:2013-05-15

Abstract

Abstract:

Dissipative particle dynamics(DPD) simulation was used to study the micellization and gelation behavior of triblock copolymer poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide)(PEO-PPO-PEO) in solution. The critical micellization concentration and the critical gelation concentration were obtained for the system at 298 K. The shape of the micelles was spherical as the concentration was below 40%(mass fraction), in accordance with experimental results. Furthermore, the effect of the length of PEO block on micelle shape and gelation behavior was studied. For block copolymer with short length of PEO block, the prolate ellipsoid micelles formed more easily. Moreover, the critical gelation concentration decreased with increa-sing the length of PEO block.

Key words: Micellization, Gelation, Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide)(PEO-PPO-PEO), Dissipative particle dynamics

CLC Number:

O641
O631

TrendMD:

XIE Yu, LÜ Zhong-Yuan, SUN Zhao-Yan, AN Li-Jia. Dissipative Particle Dynamics Simulation Study on the Micellization and Gelation Behavior of PEO-PPO-PEO Solution[J]. Chem. J. Chinese Universities, 2013, 34(6): 1454.

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Dissipative Particle Dynamics Simulation Study on the Micellization and Gelation Behavior of PEO-PPO-PEO Solution

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