Molecular dynamics simulations of droplet evaporation

Lyle N. Long, Michael M. Micci, Brian C. Wong

Research output: Contribution to journalArticlepeer-review

78 Scopus citations


The complete evaporation of a three-dimensional submicron droplet under subcritical conditions has been modeled using molecular dynamics. The two-phase system consisted of 2048 argon atoms modeled using a Lennard-Jones 12-6 potential distributed between a single droplet and its surrounding vapor. The system was first allowed to relax to equilibrium, then the droplet was evaporated by increasing the temperature of the vapor phase atoms at the boundaries of the system until only the vapor phase remained. The computed evaporation rate agrees with that predicted by the Knudsen aerosol theory.

Original languageEnglish (US)
Pages (from-to)167-172
Number of pages6
JournalComputer Physics Communications
Issue number2-3
StatePublished - Aug 1 1996

All Science Journal Classification (ASJC) codes

  • Hardware and Architecture
  • General Physics and Astronomy


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