2002年11月
How does water freeze inside carbon nanotubes?
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
- ,
- ,
- ,
- 巻
- 314
- 号
- 1-4
- 開始ページ
- 462
- 終了ページ
- 469
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1016/S0378-4371(02)01074-9
- 出版者・発行元
- ELSEVIER SCIENCE BV
Phase behavior of quasi-one-dimensional water confined inside a carbon nanotube is studied in the thermodynamic space of temperature, pressure, and diameter of the cylindrical container. Four kinds of solid-like ordered structures-ice nanotubes-form spontaneously from liquid-like disordered phases at low temperatures. In the model system that comprises of TIP4P water molecules interacting with each other via short-range Lennard-Jones and long-range Coulomb site-site potentials under a periodic boundary condition in the axial direction, the phase change occurs either discontinuously or continuously depending on the path in the thermodynamic space. That the isotherms for a given diameter are found to be similar to those around the liquid-gas critical point of fluids suggests existence of a phase boundary terminated by a critical point. The apparently-complex phase behavior is accounted for by noting that the phase boundaries are layered surfaces in the three-dimensional thermodynamic space and some of the surfaces are terminated by critical lines. (C) 2002 Elsevier Science B.V. All rights reserved.
- リンク情報
- ID情報
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- DOI : 10.1016/S0378-4371(02)01074-9
- ISSN : 0378-4371
- Web of Science ID : WOS:000179502800063