引用本文:
Ying Chun LIU, Guo Zhen XIAO, Qi WANG. Molecular Simulation on Transport Properties of Confined Water[J]. Chinese Chemical Letters,
2004, 15(7): 879-882.
Citation: Ying Chun LIU, Guo Zhen XIAO, Qi WANG. Molecular Simulation on Transport Properties of Confined Water[J]. Chinese Chemical Letters, 2004, 15(7): 879-882.
Citation: Ying Chun LIU, Guo Zhen XIAO, Qi WANG. Molecular Simulation on Transport Properties of Confined Water[J]. Chinese Chemical Letters, 2004, 15(7): 879-882.
Molecular Simulation on Transport Properties of Confined Water
摘要:
The diffusivity and viscosity of water confined in micropores were studied by molecular dynamics simulations. The effects of pore width and density were analyzed at pore widths from 0.9 to 2.6 nm. The diffusivity in micropores is lower than that of the bulk, and it decreases as pore width decreases and as density increases. But the viscosity in micropores is much larger than that of the bulk, and it increases as pore width decreases and as density increases. The diffusivity in channel parallel direction is obviously larger than that in channel perpendicular directions.
English
Molecular Simulation on Transport Properties of Confined Water
Abstract:
The diffusivity and viscosity of water confined in micropores were studied by molecular dynamics simulations. The effects of pore width and density were analyzed at pore widths from 0.9 to 2.6 nm. The diffusivity in micropores is lower than that of the bulk, and it decreases as pore width decreases and as density increases. But the viscosity in micropores is much larger than that of the bulk, and it increases as pore width decreases and as density increases. The diffusivity in channel parallel direction is obviously larger than that in channel perpendicular directions.
-
Key words:
- Micropore
- / transport property
- / molecular dynamics simulation
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 589
- HTML全文浏览量: 0
下载:
