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Description
| - We present an application of the recently developed constant enthalpy-constant pressure Monte Carlo method [SMITH, W. R., and LISAL, M., 2002, Phys. Rev. E, 66, 01114] for the direct simulation of Joule-Thomson expansion processes using a molecular-level system model. For the alternative refrigerant HFC-32 (CH2F2), we perform direct simulations of the isenthalpic integral Joule-Thomson effect (temperature drop) resulting from Joule-Thomson expansion from an initial pressure to the representative final pressure of 1 bar. We consider representative expansions from single-phase states yielding final states in both single-phase and two-phase regions. We also predict the dependence of T( P, h) and of the Joule-Thomson coefficient, mu(P,h), on pressure along several representative isenthalps, as well as points on the Joule-Thomson inversion curve. HFC-32 is modelled using a five-site potential taken from the literature, with parameters derived from ab initio calculations and vapour-liquid equilibrium data.
- We present an application of the recently developed constant enthalpy-constant pressure Monte Carlo method [SMITH, W. R., and LISAL, M., 2002, Phys. Rev. E, 66, 01114] for the direct simulation of Joule-Thomson expansion processes using a molecular-level system model. For the alternative refrigerant HFC-32 (CH2F2), we perform direct simulations of the isenthalpic integral Joule-Thomson effect (temperature drop) resulting from Joule-Thomson expansion from an initial pressure to the representative final pressure of 1 bar. We consider representative expansions from single-phase states yielding final states in both single-phase and two-phase regions. We also predict the dependence of T( P, h) and of the Joule-Thomson coefficient, mu(P,h), on pressure along several representative isenthalps, as well as points on the Joule-Thomson inversion curve. HFC-32 is modelled using a five-site potential taken from the literature, with parameters derived from ab initio calculations and vapour-liquid equilibrium data. (en)
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Title
| - Direct molecular-level Monte Carlo simulation of Joule-Thomson processes
- Direct molecular-level Monte Carlo simulation of Joule-Thomson processes (en)
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skos:prefLabel
| - Direct molecular-level Monte Carlo simulation of Joule-Thomson processes
- Direct molecular-level Monte Carlo simulation of Joule-Thomson processes (en)
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skos:notation
| - RIV/44555601:13440/03:00004826!RIV10-MSM-13440___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/44555601:13440/03:00004826
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Reaction ensemble method; computer-simulation; phase-equilibria; iinversion curves; carbon-dioxide; fluids; pressure; dynamics, equation; state (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Aim, Karel
- Lísal, Martin
- Smith, W. R.
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http://linked.open...ain/vavai/riv/wos
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issn
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number of pages
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http://localhost/t...ganizacniJednotka
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