Lifetimes of cagelike water clusters immersed in bulk liquid water: a molecular dynamics study on gas hydrate nucleation mechanisms.

@article{Guo2004LifetimesOC,
  title={Lifetimes of cagelike water clusters immersed in bulk liquid water: a molecular dynamics study on gas hydrate nucleation mechanisms.},
  author={Guang-Jun Guo and Yi-Gang Zhang and Ya-Juan Zhao and Keith Refson and Gui-Hua Shan},
  journal={The Journal of chemical physics},
  year={2004},
  volume={121 3},
  pages={1542-7}
}
Molecular dynamics simulations were performed to observe the evolution of cagelike water clusters immersed in bulk liquid water at 250 and 230 K. Totally, we considered four types of clusters--dodecahedral (5(12)) and tetrakaidecahedral (5(12)6(2)) cagelike water clusters filled with or without a methane molecule, respectively. The lifetimes of these… CONTINUE READING