Abstract
Diffusion of N2 in ice crystal has been found from Raman scattering of the natural ice from the Antarctic ice sheet. In order to investigate the diffusion mechanism, we perform molecular dynamics simulations of diffusion of N2 in ice. The results show that the N2 molecule hops in the crystal by breaking hydrogen bonds in the ice lattice. The diffusion velocity with the mechanism is few orders larger than the estimate under the assumption of the interstitial mechanism. We conclude that the localized vibrational motion of N2 is the dominant factor governing the diffusion mechanism.
| Original language | English |
|---|---|
| Pages (from-to) | 467-471 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 385 |
| Issue number | 5-6 |
| DOIs | |
| Publication status | Published - Feb 16 2004 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
Cite this
Diffusion of nitrogen gas in ice Ih. / Ikeda-Fukazawa, Tomoko; Kawamura, Katsuyuki; Hondoh, Takeo.
In: Chemical Physics Letters, Vol. 385, No. 5-6, 16.02.2004, p. 467-471.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Diffusion of nitrogen gas in ice Ih
AU - Ikeda-Fukazawa, Tomoko
AU - Kawamura, Katsuyuki
AU - Hondoh, Takeo
PY - 2004/2/16
Y1 - 2004/2/16
N2 - Diffusion of N2 in ice crystal has been found from Raman scattering of the natural ice from the Antarctic ice sheet. In order to investigate the diffusion mechanism, we perform molecular dynamics simulations of diffusion of N2 in ice. The results show that the N2 molecule hops in the crystal by breaking hydrogen bonds in the ice lattice. The diffusion velocity with the mechanism is few orders larger than the estimate under the assumption of the interstitial mechanism. We conclude that the localized vibrational motion of N2 is the dominant factor governing the diffusion mechanism.
AB - Diffusion of N2 in ice crystal has been found from Raman scattering of the natural ice from the Antarctic ice sheet. In order to investigate the diffusion mechanism, we perform molecular dynamics simulations of diffusion of N2 in ice. The results show that the N2 molecule hops in the crystal by breaking hydrogen bonds in the ice lattice. The diffusion velocity with the mechanism is few orders larger than the estimate under the assumption of the interstitial mechanism. We conclude that the localized vibrational motion of N2 is the dominant factor governing the diffusion mechanism.
UR - http://www.scopus.com/inward/record.url?scp=1242271286&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=1242271286&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2004.01.021
DO - 10.1016/j.cplett.2004.01.021
M3 - Article
AN - SCOPUS:1242271286
VL - 385
SP - 467
EP - 471
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -