Seed concentration effect on heterogeneous nucleation by molecular dynamics

Donguk Suh, Kenji Yasuoka

Research output: Contribution to journalArticle

Abstract

Heterogeneous nucleation in a system with multiple seeds was conducted by molecular dynamics to understand how seed concentrations can affect the phase transition process. A constant particle number, volume, and temperature ensemble was applied to multiple systems of Lennard-Jones particles with a carrier gas that acts as a thermal reservoir. Different numbers of seeds were inserted into systems that have been previously found to have no spontaneous nucleation due to low supersaturation ratios. The addition of the seeds activated nucleation, but the increase in the nucleation rate was not perpetual because the system size was finite. A clear understanding of how the number of seeds decreases the free energy barrier is presented along with kinetic attachment and detachment rate variations. The decrease in the free energy barrier has a limit similar to the aforementioned nucleation rate increase. The seed concentration results coincide with the predictions from the classical nucleation theory.

Original languageEnglish
Pages (from-to)223-229
Number of pages7
JournalInterfacial Phenomena and Heat Transfer
Volume5
Issue number3 Special issue
DOIs
Publication statusPublished - 2017 Jan 1

Fingerprint

Seed
Molecular dynamics
seeds
Nucleation
nucleation
molecular dynamics
Energy barriers
Free energy
free energy
Supersaturation
supersaturation
detachment
attachment
Gases
Phase transitions
Kinetics
kinetics
predictions
gases
Temperature

Keywords

  • Heterogeneous nucleation
  • Lennard-Jones fluid
  • Seed concentration

ASJC Scopus subject areas

  • Surfaces and Interfaces
  • Fluid Flow and Transfer Processes

Cite this

Seed concentration effect on heterogeneous nucleation by molecular dynamics. / Suh, Donguk; Yasuoka, Kenji.

In: Interfacial Phenomena and Heat Transfer, Vol. 5, No. 3 Special issue, 01.01.2017, p. 223-229.

Research output: Contribution to journalArticle

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