About: EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials     Goto   Sponge   NotDistinct   Permalink

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  • A two-Yukawa representation of the EXP6 fluids at supercritical temperatures and high pressures has been developed and examined using molecular simulations. A uniquely defined mapping of the repulsive part of the EXP6 potential curve onto the two-Yukawa potential is used. Two ranges of temperatures, one encountered in geochemical applications Tgeo range and the other at conditions of detonations Tdet range, are considered and it is shown that the local structures of both fluids are practically identical. Deviations between the EXP6 and two-Yukawa potential functions at intermediate separations lead to differences in the thermodynamic properties of the two fluids at lower temperatures of the Tgeo range; at higher temperatures and in the high Tdet temperature range both the structural and thermodynamic properties of the EXP6 and two-Yukawa fluids are practically identical.
  • A two-Yukawa representation of the EXP6 fluids at supercritical temperatures and high pressures has been developed and examined using molecular simulations. A uniquely defined mapping of the repulsive part of the EXP6 potential curve onto the two-Yukawa potential is used. Two ranges of temperatures, one encountered in geochemical applications Tgeo range and the other at conditions of detonations Tdet range, are considered and it is shown that the local structures of both fluids are practically identical. Deviations between the EXP6 and two-Yukawa potential functions at intermediate separations lead to differences in the thermodynamic properties of the two fluids at lower temperatures of the Tgeo range; at higher temperatures and in the high Tdet temperature range both the structural and thermodynamic properties of the EXP6 and two-Yukawa fluids are practically identical. (en)
Title
  • EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials
  • EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials (en)
skos:prefLabel
  • EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials
  • EXP6 Fluids at Extreme Conditions Modeled by Two-Yukawa Potentials (en)
skos:notation
  • RIV/67985858:_____/10:00354873!RIV11-AV0-67985858
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(IAA400720710), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika
  • 9
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 258540
http://linked.open...ai/riv/idVysledku
  • RIV/67985858:_____/10:00354873
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • fluids; thermodynamic properties; molecular dynamics method (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [9231CBAAFA7A]
http://linked.open...i/riv/nazevZdroje
  • Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 133
http://linked.open...iv/tvurceVysledku
  • Melnyk, R.
  • Nezbeda, Ivo
  • Trokhymchuk, A.
  • Krejčí, J.
http://linked.open...ain/vavai/riv/wos
  • 000281742900015
http://linked.open...n/vavai/riv/zamer
issn
  • 0021-9606
number of pages
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