Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.

@article{Horsch2008HomogeneousNI,
  title={Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics.},
  author={Martin Horsch and Jadran Vrabec and Martin Bernreuther and Sebastian Grottel and Guido Reina and Andrea Wix and Karlheinz Schaber and Hans Hasse},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 16},
  pages={164510}
}
Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a 10(6) particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 10(30) m(-3) s(-1) accessible to the direct simulation approach. Simulation results are compared to the classical nucleation theory (CNT) as well as the modification of… CONTINUE READING

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