Molecular dynamics simulations of gas-liquid nucleation of Lennard-Jones fluid

Kari Laasonen, Stephan Wonczak, Reinhard Strey, Ari Laaksonen

Research output: Contribution to journalArticleScientificpeer-review

82 Citations (Scopus)

Abstract

The authors use both the direct and the indirect technique in simulating the nucleation of Lennard-Jones-argon. The purpose is to compare the results of these two techniques with each other and to investigate various aspects possibly affecting the results, such as use of different thermostats and potential cutoffs in the simulations. The authors compare their results with those from previous works and from classical and density functional nucleation theories. In order to facilitate the comparison between simulation results and nucleation theories, they have also computed saturation vapor pressures of Lennard-Jones-argon as a function of temperature.

Original languageEnglish
Pages (from-to)9741-9747
Number of pages7
JournalJournal of Chemical Physics
Volume113
Issue number21
DOIs
Publication statusPublished - Dec 2000
MoE publication typeA1 Journal article-refereed

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