Diffusion of nitrogen gas in ice Ih

Tomoko Ikeda-Fukazawa; Katsuyuki Kawamura; Takeo Hondoh

doi:10.1016/j.cplett.2004.01.021

Diffusion of nitrogen gas in ice Ih

Tomoko Ikeda-Fukazawa, Katsuyuki Kawamura, Takeo Hondoh

Research output: Contribution to journal › Article

15 Citations (Scopus)

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	https://doi.org/10.1016/j.cplett.2004.01.021
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

Ikeda-Fukazawa, T., Kawamura, K., & Hondoh, T. (2004). Diffusion of nitrogen gas in ice Ih. Chemical Physics Letters, 385(5-6), 467-471. https://doi.org/10.1016/j.cplett.2004.01.021

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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.

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Access to Document

10.1016/j.cplett.2004.01.021