Effect of Cosolvent on the Vesicle Formation Pathways under Solvent Exchange Process: A Dissipative Particle Dynamics Simulation

Zhonglin Luo; Zhou Shu; Yi Jiang; Biaobing Wang

doi:10.3390/molecules28135113

Molecules (Jun 2023)

Effect of Cosolvent on the Vesicle Formation Pathways under Solvent Exchange Process: A Dissipative Particle Dynamics Simulation

Zhonglin Luo,
Zhou Shu,
Yi Jiang,
Biaobing Wang

Affiliations

Zhonglin Luo: Jiangsu Key Laboratory of Environmentally Friendly Polymeric Materials, Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, National Experimental Demonstration Center for Materials Science and Engineering, School of Materials Science and Engineering, Changzhou University, Changzhou 213164, China
Zhou Shu: Jiangsu Key Laboratory of Environmentally Friendly Polymeric Materials, Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, National Experimental Demonstration Center for Materials Science and Engineering, School of Materials Science and Engineering, Changzhou University, Changzhou 213164, China
Yi Jiang: Jiangsu Key Laboratory of Environmentally Friendly Polymeric Materials, Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, National Experimental Demonstration Center for Materials Science and Engineering, School of Materials Science and Engineering, Changzhou University, Changzhou 213164, China
Biaobing Wang: Jiangsu Key Laboratory of Environmentally Friendly Polymeric Materials, Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, National Experimental Demonstration Center for Materials Science and Engineering, School of Materials Science and Engineering, Changzhou University, Changzhou 213164, China

DOI: https://doi.org/10.3390/molecules28135113
Journal volume & issue: Vol. 28, no. 13
p. 5113

Abstract

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The effective control over the vesicle formation pathways is vital for tuning its function. Recently, a liquid–liquid phase-separated intermediate (LLPS) is observed before a vesicular structure during the solvent exchange self-assembly of block copolymers. Though the understanding of polymer structures and chemical compositions on the competition between LLPS and micellization has made some progress, little is known about the role of cosolvent on it. In this study, the influence of cosolvent on the vesicle formation pathways is investigated by using dissipative particle dynamics. The results show that the range of water fraction within which the LLPS is favored will be highly dependent on the affinity difference of cosolvent to water and to polymer repeat units. The change of the cosolvent–water interaction and the water fraction impact the distribution of cosolvent in the polymer domain, the miscibility between the components in the system as well as the chain conformations, which finally induce different self-assembly behaviors. Our findings would be helpful for understanding the LLPS and controlling the morphologies of diblock polymers in solutions for further applications.

Published in Molecules

ISSN: 1420-3049 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: Science: Chemistry: Organic chemistry
Website: http://www.mdpi.com/journal/molecules

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