Počet záznamů: 1
Modelling of planar and spherical phase interfaces for multicomponent systems using density gradient theory
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SYSNO ASEP 0496348 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Modelling of planar and spherical phase interfaces for multicomponent systems using density gradient theory Tvůrce(i) Celný, David (UT-L)
Vinš, Václav (UT-L) RID, ORCID
Hrubý, Jan (UT-L) RID, ORCIDCelkový počet autorů 3 Zdroj.dok. Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812
Roč. 483, March (2019), s. 70-83Poč.str. 14 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova phase interface ; density gradient theory ; multicomponent system ; droplet nucleation Vědní obor RIV BJ - Termodynamika Obor OECD Thermodynamics CEP GA17-08218S GA ČR - Grantová agentura ČR EF16_019/0000753 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Způsob publikování Omezený přístup Institucionální podpora UT-L - RVO:61388998 UT WOS 000456757100005 EID SCOPUS 85056223160 DOI 10.1016/j.fluid.2018.10.014 Anotace This study presents mathematical modelling of the properties of vapour-liquid phase interfaces for multi-component mixtures. The developed model can be applied both on a standard case of a planar phase interface and on a spherical interface representing droplets or bubbles. The PCP-SAFT equation of state is utilized for thermodynamic property evaluation. The fundamentals of the presented model lie in the Density Gradient Theory (DGT) used to formulate the governing differential equations. An innovative approach to the problem formulation divides the solution into two parts, an algebraic solution and a differential equations solution, that can be solved individually. The developed solution method can be applied on both interface geometries, for which the density profile is solved as the main quantity describing the interface. In addition to the density profile, the surface tension and adsorptions of mixture components within the interface are computed. Mixtures with CO2 were selected as the demonstrative systems in this work. Modelled mixtures of n-butane + CO2, n-decane + CO2, and SF6 + CO2 were compared with available experimental data for surface tension and also with the predictions of a more general Density Functional Theory (DFT). Based on these comparisons, the model was found to be in a good agreement with experimental data and comparable to the DFT predictions. Pracoviště Ústav termomechaniky Kontakt Marie Kajprová, kajprova@it.cas.cz, Tel.: 266 053 154 ; Jana Lahovská, jaja@it.cas.cz, Tel.: 266 053 823 Rok sběru 2020 Elektronická adresa https://www.sciencedirect.com/science/article/pii/S0378381218304369
Počet záznamů: 1