Simulations of Vapor-Liquid Equilibria: Routine versus Thoroughness

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F16%3A43888030" target="_blank" >RIV/44555601:13440/16:43888030 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jced.6b00539" target="_blank" >http://dx.doi.org/10.1021/acs.jced.6b00539</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jced.6b00539" target="_blank" >10.1021/acs.jced.6b00539</a>

Result language
angličtina
Original language name
Simulations of Vapor-Liquid Equilibria: Routine versus Thoroughness
Original language description
Selected vapor-liquid equilibrium literature data have been analyzed revealing in many cases very large fluctuations or very low precision, and inconsistencies, with some of them being even incorrect. Consequently, use of such data may result in a questionable estimate of other properties as, for example, the critical point location. It is shown that plotting the vapor compressibility factor as a function of temperature along its equilibrium curve may provide a simple but strong test of precision and correctness of such data. Examples are given for several models of water and also for three selected complex organic fluids for which simulation data have been reported in literature.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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