Molecular dynamics simulations of droplet evaporation

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

doi:10.1016/0010-4655(96)00050-1

Molecular dynamics simulations of droplet evaporation

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

Research output: Contribution to journal › Article › peer-review

72 Scopus citations

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 language	English (US)
Pages (from-to)	167-172
Number of pages	6
Journal	Computer Physics Communications
Volume	96
Issue number	2-3
DOIs	https://doi.org/10.1016/0010-4655(96)00050-1
State	Published - Aug 1 1996

All Science Journal Classification (ASJC) codes

Hardware and Architecture
Physics and Astronomy(all)

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10.1016/0010-4655(96)00050-1

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title = "Molecular dynamics simulations of droplet evaporation",

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.",

author = "Long, {Lyle N.} and Micci, {Michael M.} and Wong, {Brian C.}",

note = "Funding Information: The authors would like to acknowledge the support of AFOSR under grant number F49620-94-1-D133 and NASA Grant NAGW-1356, Supplement 6. We would also like to thank Jeff Little and Teresa Kaltz for their contributions.",

year = "1996",

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doi = "10.1016/0010-4655(96)00050-1",

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T1 - Molecular dynamics simulations of droplet evaporation

AU - Long, Lyle N.

AU - Micci, Michael M.

AU - Wong, Brian C.

N1 - Funding Information: The authors would like to acknowledge the support of AFOSR under grant number F49620-94-1-D133 and NASA Grant NAGW-1356, Supplement 6. We would also like to thank Jeff Little and Teresa Kaltz for their contributions.

PY - 1996/8/1

Y1 - 1996/8/1

N2 - 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.

AB - 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.

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DO - 10.1016/0010-4655(96)00050-1

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JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

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ER -

Molecular dynamics simulations of droplet evaporation

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