Plasma and Fusion Research

Volume 11, 2401073 (2016)

Regular Articles

Dissipative Particle Dynamics Simulation of Self-Assembly in a Bolaamphiphilic Solution
Susumu FUJIWARA, Yu TAKAHASHI, Hiroki IKEBE, Tomoko MIZUGUCHI, Masato HASHIMOTO, Yuichi TAMURA1), Hiroaki NAKAMURA2) and Ritoku HORIUCHI2)
Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
1)
Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
2)
National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292, Japan
(Received 1 December 2015 / Accepted 24 February 2016 / Published 10 June 2016)

Abstract

The self-assembly of flexible bolaamphiphilic molecules in a solution is studied by dissipative particle dynamics simulations. In particular, we investigate the effect of the interaction difference, Δa, between the two different hydrophilic end groups on the self-assembly in a bolaamphiphilic solution. Our simulations show that two types of self-assembled structures, spherical vesicles and worm-like micelles, are obtained from a random configuration of bolaamphiphilic molecules in a solution. We find that the worm-like micelles are formed when Δa > 0, whereas spherical vesicles are obtained when Δa ≤ 0. It is also ascertained that the size of the spherical vesicles decreases as Δa decreases.

Keywords

dissipative particle dynamics simulation, self-assembly, bolaamphiphilic solution, worm-like micelle, spherical vesicle

DOI: 10.1585/pfr.11.2401073

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References

  • [1] S. Fujiwara, M. Hashimoto and T. Itoh, J. Plasma Phys. 72, 1011 (2006).
  • [2] S. Fujiwara, T. Itoh, M. Hashimoto and Y. Tamura, Mol. Simul. 33, 115 (2007).
  • [3] S. Fujiwara, T. Itoh, M. Hashimoto and R. Horiuchi, J. Chem. Phys. 130, 144901 (2009).
  • [4] S. Fujiwara, T. Itoh, M. Hashimoto, H. Nakamura and Y. Tamura, Plasma Fusion Res. 5, S2114 (2010).
  • [5] S. Fujiwara, T. Itoh, M. Hashimoto, Y. Tamura, H. Nakamura and R. Horiuchi, Plasma Fusion Res. 6, 2401040 (2011).
  • [6] S. Fujiwara, D. Funaoka, T. Itoh and M. Hashimoto, Comput. Phys. Commun. 182, 192 (2011).
  • [7] S. Fujiwara, M. Hashimoto, T. Itoh and R. Horiuchi, Chem. Lett. 41, 1038 (2012).
  • [8] S. Fujiwara, M. Hashimoto, Y. Tamura, H. Nakamura and R. Horiuchi, Plasma Fusion Res. 9, 3401067 (2014).
  • [9] S. Fujiwara, T. Miyata, M. Hashimoto, Y. Tamura, H. Nakamura and R. Horiuchi, Plasma Fusion Res. 10, 3401029 (2015).
  • [10] S. Fujiwara and T. Sato, J. Chem. Phys. 107, 613 (1997).
  • [11] S. Fujiwara and T. Sato, J. Chem. Phys. 114, 6455 (2001).
  • [12] S. Fujiwara and T. Sato, Phys. Rev. Lett. 80, 991 (1998).
  • [13] S. Fujiwara and T. Sato, J. Chem. Phys. 110, 9757 (1999).
  • [14] S. Fujiwara and T. Sato, Comput. Phys. Commun. 142, 123 (2001).
  • [15] S. Fujiwara, M. Hashimoto, T. Itoh and H. Nakamura, J. Phys. Soc. Jpn. 75, 024605 (2006).
  • [16] J.N. Israelachvili, Intermolecular and Surface Forces (Academic Press, London, 1992) 2nd ed.
  • [17] Micelles, Membranes, Microemulsions, and Monolayers, edited by W.M. Gelbart, A. Ben-Shaul and D. Roux (Springer-Verlag, New York, 1994), pp.1-104.
  • [18] I.W. Hamley, Introduction to Soft Matter (J. Wiley, Chichester, 2007) Rev. ed.
  • [19] R. Shirasaki, Y. Yoshikai, H. Qian, S. Fujiwara, Y. Tamura and H. Nakamura, Plasma Fusion Res. 6, 2401116 (2011).
  • [20] X. Li, I.V. Pivkin, H. Liang and G.E. Karniadakis, Macromolecules 42, 3195 (2009).
  • [21] P. Español and P.B.Warren, Europhys. Lett. 30, 191 (1995).
  • [22] M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
  • [23] R.D. Groot and P.B. Warren, J. Chem. Phys. 107, 4423 (1997).
  • [24] http://octa.jp/