Plasma and Fusion Research
Volume 9, 3401067 (2014)
Regular Articles
- and Ritoku HORIUCHI
- 1)
- Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
- 2)
- Konan University, 8-9-1 Okamoto, Higashinada-ku, Kobe 658-8501, Japan
- 3)
- National Institute for Fusion Science, 322-6 Oroshi-cho, Toki 509-5292, Japan
Abstract
The micellar shape transition in amphiphilic solutions is studied by coarse-grained molecular dynamics simulations of rigid amphiphilic molecules with explicit solvent molecules. Our simulations show that the dominant micellar shape changes from disc to cylinder, and then to sphere as the hydrophilic interaction increases. We find that, as the hydrophilic interaction increases, the potential energy decreases monotonically even during the micellar shape transition, whereas the slope of the potential energy decreases in a stepwise manner in relation to the micellar shape transition. We also ascertained that there exists a wide coexistence region in the intensity of the hydrophilic interaction between a cylinder and a sphere, whereas the coexistence region between a cylinder and a disc is very narrow.
Keywords
molecular dynamics simulation, micellar shape transition, amphiphilic solution, hydrophilic interaction, dynamic coexistence
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References
- [1] S. Fujiwara and T. Sato, J. Chem. Phys. 107, 613 (1997).
- [2] S. Fujiwara and T. Sato, J. Chem. Phys. 114, 6455 (2001).
- [3] S. Fujiwara and T. Sato, Phys. Rev. Lett. 80, 991 (1998).
- [4] S. Fujiwara and T. Sato, J. Chem. Phys. 110, 9757 (1999).
- [5] S. Fujiwara and T. Sato, Comput. Phys. Commun. 142, 123 (2001).
- [6] S. Fujiwara, M. Hashimoto, T. Itoh and H. Nakamura, J. Phys. Soc. Jpn. 75, 024605 (2006).
- [7] S. Fujiwara, M. Hashimoto and T. Itoh, J. Plasma Phys. 72, 1011 (2006).
- [8] S. Fujiwara, T. Itoh, M. Hashimoto and Y. Tamura, Mol. Simul. 33, 115 (2007).
- [9] S. Fujiwara, T. Itoh, M. Hashimoto and R. Horiuchi, J. Chem. Phys. 130, 144901 (2009).
- [10] S. Fujiwara, T. Itoh, M. Hashimoto, H. Nakamura and Y. Tamura, Plasma Fusion Res. 5, S2114 (2010).
- [11] S. Fujiwara, D. Funaoka, T. Itoh and M. Hashimoto, Comput. Phys. Commun. 182, 192 (2011).
- [12] S. Fujiwara, T. Itoh, M. Hashimoto, Y. Tamura, H. Nakamura and R. Horiuchi, Plasma Fusion Res. 6, 2401040 (2011).
- [13] S. Fujiwara, M. Hashimoto, T. Itoh and R. Horiuchi, Chem. Lett. 41, 1038 (2012).
- [14] S. Fujiwara, M. Hashimoto, T. Itoh, H. Nakamura and Y. Tamura, J. Phys.: Conf. Ser. 454, 012024 (2013).
- [15] J.N. Israelachvili, Intermolecular and Surface Forces (Academic Press, London, 1992) 2nd ed.
- [16] Micelles, Membranes, Microemulsions, and Monolayers, edited by W.M. Gelbart, A. Ben-Shaul and D. Roux (Springer-Verlag, New York, 1994) pp.1-104.
- [17] I.W. Hamley, Introduction to Soft Matter (J. Wiley, Chichester, 2007) Rev. ed.
- [18] A. Chaudhuri, S. Haldar and A. Chattopadhyay, Chem. Phys. Lipids 165, 497 (2012).
- [19] A.V. Sangwai and R. Sureshkumar, Langmuir 27, 6628 (2011).
- [20] M. Velinova, D. Sengupta, A.V. Tadjer and S.J. Marrink, Langmuir 27, 14071 (2011).
- [21] A.G. Daful, J.B. Avalos and A.D. Mackie, Langmuir 28, 3730 (2012).
- [22] R. Goetz and R. Lipowsky, J. Chem. Phys. 108, 7397 (1998).
- [23] R. Goetz, G. Gompper and R. Lipowsky, Phys. Rev. Lett. 82, 221 (1998).
- [24] S.J. Marrink, D.P. Tieleman and A.E. Mark, J. Phys. Chem. B 104, 12165 (2000).
- [25] E.N. Brodskaya, Colloid J. 74, 154 (2012).
- [26] M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
- [27] W. Schroeder, K. Martin and B. Lorensen, The Visualization Toolkit: An Object-Oriented Approach to 3D Graphics (Kitware, New York, 2002) 3rd ed.
This paper may be cited as follows:
Susumu FUJIWARA, Masato HASHIMOTO, Yuichi TAMURA and Hiroaki NAKAMURA, Plasma Fusion Res. 9, 3401067 (2014).