Vesicle formation

Satoru Yamamoto, Taku Ozawa

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

In this chapter, the spontaneous vesicle formation of amphiphilic molecules in an aqueous solution is studied employing dissipative particle dynamics simulation. The amphiphilic molecule is represented by a coarse-grained model, which contains a hydrophilic head group and a hydrophobic tail group. Water is modeled by particles in the same way, with one particle representing a group of several H2O molecules. In the dissipative particle dynamics simulation, starting with either a randomly dispersed system or a bilayer structure of the amphiphile for the initial condition, spontaneous vesicle formation via an intermediate state of an oblate micelle or a bilayer membrane is observed. The membrane fluctuates and encapsulates water particles and then closes to form a vesicle. During the process of vesicle formation, the energy of the hydrophobic interaction between the amphiphile and water reduces. Furthermore, it is found that the aggregation process is faster for two-tailed amphiphiles than for single-tailed amphiphiles.

Original languageEnglish
Title of host publicationComputer Simulation of Polymeric Materials
Subtitle of host publicationApplications of the OCTA System
PublisherSpringer Singapore
Pages359-368
Number of pages10
ISBN (Electronic)9789811008153
ISBN (Print)9789811008146
DOIs
Publication statusPublished - Jan 1 2016
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Engineering(all)
  • Materials Science(all)

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  • Cite this

    Yamamoto, S., & Ozawa, T. (2016). Vesicle formation. In Computer Simulation of Polymeric Materials: Applications of the OCTA System (pp. 359-368). Springer Singapore. https://doi.org/10.1007/978-981-10-0815-3_26