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  • A general extended Gibbbs ensemble, obtained by augmentingthe standard Gibbs ensemble by intermediate states in thespirit of the scaled particle method of Nezbeda and Kolafa[Molec. Simul., 5, 391 (1991)], is introduced. The inter-mediate states span the states with different number of par-ticles in the simulation boxes and facilitate the transferof particles even in such complex systems as e.g., mixturesof very different components, systems of flexible polymericmolecules, or systems at very high densities. A general for-mulation of the ensemble is given and two implementations areconsidered in detail. The metod is very general and is exem-plified by studying the fluid-fluid coexistence in a densebinary mixture of the hard-sphere and square-well fluids.
  • A general extended Gibbbs ensemble, obtained by augmentingthe standard Gibbs ensemble by intermediate states in thespirit of the scaled particle method of Nezbeda and Kolafa[Molec. Simul., 5, 391 (1991)], is introduced. The inter-mediate states span the states with different number of par-ticles in the simulation boxes and facilitate the transferof particles even in such complex systems as e.g., mixturesof very different components, systems of flexible polymericmolecules, or systems at very high densities. A general for-mulation of the ensemble is given and two implementations areconsidered in detail. The metod is very general and is exem-plified by studying the fluid-fluid coexistence in a densebinary mixture of the hard-sphere and square-well fluids. (en)
Title
  • An Extended Gibbs Ensemble.
  • An Extended Gibbs Ensemble. (en)
skos:prefLabel
  • An Extended Gibbs Ensemble.
  • An Extended Gibbs Ensemble. (en)
skos:notation
  • RIV/67985858:_____/99:27000077!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany
  • 183;198
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika
  • N/A
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
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  • 734740
http://linked.open...ai/riv/idVysledku
  • RIV/67985858:_____/99:27000077
http://linked.open...riv/jazykVysledku
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  • N/A (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [886E8988543D]
http://linked.open...i/riv/nazevZdroje
  • Molecular Simulation
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...ocetUcastnikuAkce
http://linked.open...nichUcastnikuAkce
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 22
http://linked.open...iv/tvurceVysledku
  • Nezbeda, Ivo
  • Strnad, Martin
http://linked.open...n/vavai/riv/zamer
issn
  • 0892-7022
number of pages
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