Molecular dynamics study of methane in water: diffusion and structure
β Scribed by Zhang, J.; Piana, S.; Freij-Ayoub, R.; Rivero, M.; Choi, S. K.
- Book ID
- 120608076
- Publisher
- Taylor and Francis Group
- Year
- 2006
- Tongue
- English
- Weight
- 915 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0892-7022
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π SIMILAR VOLUMES
We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami
Computer simulations of an initially disordered molecular fluid composed of water and methane exhibit a phase-separation into a cylindrical core of methane molecules surrounded by an aqueous phase. A water/methane/methanol system also supports two phases, with only a weak preferential salvation of t