Molecular dynamics simulations of droplet evaporation

Lyle Norman Long, Michael Matthew Micci, Brian C. Wong

Research output: Contribution to journalArticle

51 Citations (Scopus)

Abstract

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
Volume96
Issue number2-3
StatePublished - Aug 1 1996

Fingerprint

Molecular dynamics
Evaporation
Vapors
evaporation
vapor phases
molecular dynamics
binary systems (materials)
evaporation rate
Computer simulation
atoms
Atoms
aerosols
simulation
argon
vapors
Aerosols
Argon
temperature
Temperature

All Science Journal Classification (ASJC) codes

  • Hardware and Architecture
  • Physics and Astronomy(all)

Cite this

Long, Lyle Norman ; Micci, Michael Matthew ; Wong, Brian C. / Molecular dynamics simulations of droplet evaporation. In: Computer Physics Communications. 1996 ; Vol. 96, No. 2-3. pp. 167-172.
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Molecular dynamics simulations of droplet evaporation. / Long, Lyle Norman; Micci, Michael Matthew; Wong, Brian C.

In: Computer Physics Communications, Vol. 96, No. 2-3, 01.08.1996, p. 167-172.

Research output: Contribution to journalArticle

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