Molecular dynamics study of methane in water: diffusion and structure
We present molecular dynamics simulation results for the diffusion coefficients and structure of water-methane mixtures in constant NPT ensembles, at T 270, 300K and P 8.104 107 Pa. The systems we have studied consist of one, four and eight CH4 molecules and varying H2O molecules per unit cell, w...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis Ltd
2006
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| Subjects: | |
| Online Access: | http://www.informaworld.com/openurl?genre=article&id=doi:10.1080/08927020601039598 http://hdl.handle.net/20.500.11937/33880 |