Effect of Solvent Molecular Size on the Self-assembly of Amphiphilic Triblock Copolymer in a Selective Solvent with a Monte Carlo Simulation

Chem. J. Chinese Universities ›› 2011, Vol. 32 ›› Issue (7): 1651.

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Effect of Solvent Molecular Size on the Self-assembly of Amphiphilic Triblock Copolymer in a Selective Solvent with a Monte Carlo Simulation

FAN Juan-Juan^1,2,3, HAN Yuan-Yuan¹, JIANG Wei^1*

1. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China;
2. Graduate University of the Chinese Academy of Sciences, Beijing 100049, China;
3. College of Information Technology, Jilin Agricultural University, Changchun 130118, China

Received:2010-08-20 Revised:2010-11-18 Online:2011-07-10 Published:2011-06-02
Contact: JIANG Wei E-mail:wjiang@ciac.jl.cn
Supported by:
国家自然科学基金(批准号: 50725312, 50930001和50621302)资助.

Abstract

Abstract: The effect of solvent molecular size on the self-assembly of ABA amphiphilic triblock copolymer in a selective solvent was studied by means of Monte Carlo study. The simulative results showed that the solvent molecular size is one of the key factors that determine the morphologies of the copolymer aggregates. The morphologies formed by ABA amphiphilic triblock copolymers changed from spheres to rod and then to vesicle by increasing the solvent molecular size. By analyzing the variations of the contact number between monomers, it was found that the morphological transition was induced by the decreasing of the solvent solubility when increasing the solvent molecular size. Moreover, the phase diagrams in terms of the core-solvent interaction and the solvent molecular size as well as the corona-solvent interaction and the solvent molecular size were given respectively. The results revealed that increasing solvent molecular size, core-solvent interaction and decreasing corona-solvent interaction had an equivalent effect on the self-assembled structure for the ABA amphiphilic triblock copolymers.

Key words: Monte Carlo simulation, solvent molecular size, self-assembly, amphiphilic triblock copolymer

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FAN Juan-Juan, HAN Yuan-Yuan, JIANG Wei*. Effect of Solvent Molecular Size on the Self-assembly of Amphiphilic Triblock Copolymer in a Selective Solvent with a Monte Carlo Simulation[J]. Chem. J. Chinese Universities, 2011, 32(7): 1651.

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Effect of Solvent Molecular Size on the Self-assembly of Amphiphilic Triblock Copolymer in a Selective Solvent with a Monte Carlo Simulation

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