Abstract
We present molecular dynamics simulation results on the system size dependence and the tube diameter dependence of the self-diffusion coefficient of liquid argon confined in carbon nanotubes. The tube diameter is varied from 1 nm to 10 nm under the condition of fixed temperature and fixed axial pressure. Variation of the diffusion coefficient in a nanoscale diameter range is large and intricate, which is caused by a variety of underlying structures of liquid argon in the carbon nanotube. In a mesoscopic range, as the diameter is increased, the diffusion coefficient gradually increases and approaches the limiting value of the bulk liquid. The rate of approach is significantly slow compared to the rate of approach of the density to the bulk density. A main reason is found to be formation of solid like structure in the vicinity of the cylindrical wall.
| Original language | English |
|---|---|
| Article number | SA022 |
| Journal | Journal of the Physical Society of Japan |
| Volume | 81 |
| Issue number | SUPPL. A |
| Publication status | Published - Sep 2012 |
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Keywords
- Argon
- Carbon nanotube
- Confined liquid
- Cylindrical pore
- Diffusion coefficient
ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Diffusivity of liquid argon in carbon nanotubes. / Akiyoshi, Hiroki; Koga, Kenichiro.
In: Journal of the Physical Society of Japan, Vol. 81, No. SUPPL. A, SA022, 09.2012.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Diffusivity of liquid argon in carbon nanotubes
AU - Akiyoshi, Hiroki
AU - Koga, Kenichiro
PY - 2012/9
Y1 - 2012/9
N2 - We present molecular dynamics simulation results on the system size dependence and the tube diameter dependence of the self-diffusion coefficient of liquid argon confined in carbon nanotubes. The tube diameter is varied from 1 nm to 10 nm under the condition of fixed temperature and fixed axial pressure. Variation of the diffusion coefficient in a nanoscale diameter range is large and intricate, which is caused by a variety of underlying structures of liquid argon in the carbon nanotube. In a mesoscopic range, as the diameter is increased, the diffusion coefficient gradually increases and approaches the limiting value of the bulk liquid. The rate of approach is significantly slow compared to the rate of approach of the density to the bulk density. A main reason is found to be formation of solid like structure in the vicinity of the cylindrical wall.
AB - We present molecular dynamics simulation results on the system size dependence and the tube diameter dependence of the self-diffusion coefficient of liquid argon confined in carbon nanotubes. The tube diameter is varied from 1 nm to 10 nm under the condition of fixed temperature and fixed axial pressure. Variation of the diffusion coefficient in a nanoscale diameter range is large and intricate, which is caused by a variety of underlying structures of liquid argon in the carbon nanotube. In a mesoscopic range, as the diameter is increased, the diffusion coefficient gradually increases and approaches the limiting value of the bulk liquid. The rate of approach is significantly slow compared to the rate of approach of the density to the bulk density. A main reason is found to be formation of solid like structure in the vicinity of the cylindrical wall.
KW - Argon
KW - Carbon nanotube
KW - Confined liquid
KW - Cylindrical pore
KW - Diffusion coefficient
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UR - http://www.scopus.com/inward/citedby.url?scp=84866415257&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:84866415257
VL - 81
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - SUPPL. A
M1 - SA022
ER -