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

Kari Laasonen, Stephan Wonczak, Reinhard Strey, Ari Laaksonen

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

85 Sitaatiot (Scopus)

Abstrakti

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.

AlkuperäiskieliEnglanti
Sivut9741-9747
Sivumäärä7
JulkaisuJournal of Chemical Physics
Vuosikerta113
Numero21
DOI - pysyväislinkit
TilaJulkaistu - jouluk. 2000
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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