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Nucleation criteria detection as a mean to investigate metastable state
Celný, David
;
Span, R.
;
Vrabec, J.
Focus is given to the core problematic, reaching the nucleation region and sample the relevant data for selected pure substance. This termodynamic condition required for nucleation are found in so called metastable region. Metastable region is found between binodal and spinodal line separating it from the stable and unstable system condition respectively.\nObtaining the data in this area proves to be an experimental challenge, therefore the data has to be gathered using other means. Proposed setup relies two part approach combining equation of state (EoS) and molecular simulation. The computational core is done with molecular dynamics tool combined with on the fly performing decision cluster criterion utilized is already available in previously published work. These cluster criteria ensure that the system is only calculated within targeted conditions and the sampled micro-states remain valid observations. To capture whole metastable region two criteria are present for both cluster and void case as illustrated below. Remaining part utilize the equation of state for the initial system condition sampling of the metastable region by calculating the stability line and predicting the instability line for the LJ fluid as show in Linhart et.al. . These thermodynamic condition probes are evaluated afterwards with the established simulation method. Intermediate result from simulations are collected in form of both Helmholtz energy temperature and density derivatives descriptors as well as time averages of system properties for fluids like LJ, Oxygen and Nitrogen.
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Report on the reference densities of water and air employed for the adjustment of vibrating tube density meter
Vinš, Václav
;
Prokopová, Olga
Zpráva představuje souhrn několika modelů pro určení referenčních hustot čisté vody a vlhkého vzduchu při atmosférickém tlaku, které jsou potřebné k teplotní kalibraci hustoměru s vibrační trubicí Anton Paar DMA 5000 M. Při nastavení přístroje využívaného v Laboratoři termofyzikálních vlastností vzešla řada technických otázek ohledně kalibrace přístroje. Tato zpráva slouží zejména jako podklad k diskuzi se zástupci společnosti Anton Paar. S použitím softwaru pro technické výpočty Matlab byly vytvořeny programy pro výpočet hustoty vody pomocí stavové rovnice IAPWS-95 od Wagnera a Pruße (2002), CIPM standardu od Tanaky a kol. (2001) a vztahu od Spiewecka a Bettina (1992). Pro vlhký vzduch byl sestaven model na základě IAPWS Guideline G8-10 (2010) založeném na stavové rovnici pro suchý vzduch od Lemmona a kol. (2000) a stavové rovnici pro vodu IAPWS-95. Výsledky byly porovnány s CIPM standardem od Picarda a kol. (2008) a zjednodušeným vztahem od Spiewecka a Bettina (1992). V závěrečné části jsou prezentována data naměřená v Laboratoři termofyzikálních vlastností pro čistou vodu v teplotním rozsahu 2 až 50 °C pro různá nastavení referenčních vztahů pro hustoty vody a vlhkého vzduchu použité při kalibraci přístroje.\n
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