Molecular dynamics simulations of atomization and spray phenomena

Michael Matthew Micci, Teresa L. Kaltz, Lyle Norman Long

Research output: Contribution to journalReview article

10 Citations (Scopus)

Abstract

This article reviews the use of molecular dynamics to simulate a wide variety of physical phenomena relevant to droplet vaporization and atomization for both atomic and molecular species. These include both subcritical and supercritical droplet vaporization and mixture effects on the liquid-phase critical point. Droplet formation, collisions, coalescence, and breakup have also been simulated naturally, without any ad-hoc assumptions or the need to track phase boundaries. Finally, all molecular dynamics simulations of liquid flows have reproduced the results given by the solution of the Navier-Stokes equations.

Original languageEnglish (US)
Pages (from-to)351-363
Number of pages13
JournalAtomization and Sprays
Volume11
Issue number4
StatePublished - Jul 1 2001

Fingerprint

atomizing
Atomization
sprayers
Molecular dynamics
molecular dynamics
Vaporization
liquid flow
Computer simulation
Navier-Stokes equation
coalescing
critical point
liquid phases
simulation
Liquids
Phase boundaries
Coalescence
Navier Stokes equations
collisions

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)

Cite this

Micci, Michael Matthew ; Kaltz, Teresa L. ; Long, Lyle Norman. / Molecular dynamics simulations of atomization and spray phenomena. In: Atomization and Sprays. 2001 ; Vol. 11, No. 4. pp. 351-363.
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Molecular dynamics simulations of atomization and spray phenomena. / Micci, Michael Matthew; Kaltz, Teresa L.; Long, Lyle Norman.

In: Atomization and Sprays, Vol. 11, No. 4, 01.07.2001, p. 351-363.

Research output: Contribution to journalReview article

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AU - Long, Lyle Norman

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N2 - This article reviews the use of molecular dynamics to simulate a wide variety of physical phenomena relevant to droplet vaporization and atomization for both atomic and molecular species. These include both subcritical and supercritical droplet vaporization and mixture effects on the liquid-phase critical point. Droplet formation, collisions, coalescence, and breakup have also been simulated naturally, without any ad-hoc assumptions or the need to track phase boundaries. Finally, all molecular dynamics simulations of liquid flows have reproduced the results given by the solution of the Navier-Stokes equations.

AB - This article reviews the use of molecular dynamics to simulate a wide variety of physical phenomena relevant to droplet vaporization and atomization for both atomic and molecular species. These include both subcritical and supercritical droplet vaporization and mixture effects on the liquid-phase critical point. Droplet formation, collisions, coalescence, and breakup have also been simulated naturally, without any ad-hoc assumptions or the need to track phase boundaries. Finally, all molecular dynamics simulations of liquid flows have reproduced the results given by the solution of the Navier-Stokes equations.

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