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| Description
| - The BACK equation of state represents a powerful tool in the description of the P-V-T behavior of fluid systems in broad range of independent variables - temperature, pressure and composition; this equation comprises four compound-specific parameters which are adjusted to the equilibrium data. In the previous contribution, the possibility was studied of determining one of the parameters, the non-sphericity one, from a theoretical approach; here we extend our study to theoretical determination of two parameters, one connected with the size and the other with shape of molecular models. On the basis of the structural data - bond distances and bond angles - three characteristics of the hard body models of the studied molecules - the reduced volume, surface area and the mean curvature integral, divided by 4pi - are determined and used to evaluate the non-sphericity parameter, alpha, and close-packed volume, V00. The method is applied to argon, krypton and methane (with a spherical shape of m
- The BACK equation of state represents a powerful tool in the description of the P-V-T behavior of fluid systems in broad range of independent variables - temperature, pressure and composition; this equation comprises four compound-specific parameters which are adjusted to the equilibrium data. In the previous contribution, the possibility was studied of determining one of the parameters, the non-sphericity one, from a theoretical approach; here we extend our study to theoretical determination of two parameters, one connected with the size and the other with shape of molecular models. On the basis of the structural data - bond distances and bond angles - three characteristics of the hard body models of the studied molecules - the reduced volume, surface area and the mean curvature integral, divided by 4pi - are determined and used to evaluate the non-sphericity parameter, alpha, and close-packed volume, V00. The method is applied to argon, krypton and methane (with a spherical shape of m (en)
- Rovnice BACK představuje významný nástroj k popisu P-V-T chování tekutin v širokém oboru nezávislých proměnných ? teplotě, tlaku a složení ; tato rovnice zahrnuje čtyři látkově specifické parametry, které jsou adjustovány na rovnovážná data. V předchozím příspěvku jsme studovali možnost určení jednoho z parametrů, parametru nesfericity, z teoretickým postupem; zde je studie rozšířena na teoretické určení dvou parametrů, jednoho spojeného s velikostí a druhý s tvarem molekulárních modelů. Na základě strukturálních dat ? délky vazeb a vazebných úhlů ? byly určeny tři charakteristiky tuhých modelů studovaných molekul ? redukovaný objem, povrch a integrál střední křivosti, dělený 4 pi ? a použity k určení parametru nesfericity, alfa, a objemu nejtěsnějšíhomuspřádání V00. Metoda je použita na argon, krypton a metan (s kulovým tvarem molekulárního modelu) a dusíku, kyslíku a etanu (modelované jako diatomické molekuly) a vzduchu (směsi dusíku a kyslíku); její předpověď je porovnána s výsledky, získanými post (cs)
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| Title
| - BACK Equation of State for Simple Compounds
- BACK Equation of State for Simple Compounds (en)
- Stavová rovnice BACK pro jednoduché sloučeniny (cs)
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| skos:prefLabel
| - BACK Equation of State for Simple Compounds
- BACK Equation of State for Simple Compounds (en)
- Stavová rovnice BACK pro jednoduché sloučeniny (cs)
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| skos:notation
| - RIV/44555601:13440/07:00003813!RIV08-AV0-13440___
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| http://linked.open.../vavai/riv/strany
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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/44555601:13440/07:00003813
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - BACK; Equation of state; BACK parameters; enlarged hard dumbbell; argon; krypton; methane; nitrogen; oxygen; ethane; air; mixture (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Journal of Molecular Liquids
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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...vavai/riv/projekt
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| http://linked.open...UplatneniVysledku
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| http://linked.open...iv/tvurceVysledku
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| issn
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| number of pages
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| http://localhost/t...ganizacniJednotka
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