Plasma and Fusion Research
Online ISSN : 1880-6821
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Dissipative Particle Dynamics Simulation for Self-Assembly of Symmetric Bolaamphiphilic Molecules in Solution
Susumu FUJIWARAYoshiki IIDATakehide TSUTSUITomoko MIZUGUCHIMasato HASHIMOTOYuichi TAMURAHiroaki NAKAMURA
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2018 Volume 13 Pages 3401095

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Abstract

The self-assembly of dissolved symmetric bolaamphiphilic molecules is studied using dissipative particle dynamics simulations. Specifically, we investigate how interactions between the dual hydrophilic ends of the molecules affect the self-assembly process. Simulations show that four types of self-assembled structures (spherical micelles, tubes, vesicles, and wormlike micelles) are obtained from a random configuration of symmetric bolaamphiphilic molecules in solution. We find that the self-assembled structures change from spherical micelles to tubes, then to vesicles, and finally to wormlike micelles as the repulsive interactions between the hydrophilic ends increase. The molecular shapes in vesicles tend to be more rodlike than those in spherical micelles, tubes, or wormlike micelles.

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© 2018 by The Japan Society of Plasma Science and Nuclear Fusion Research
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