Modelling of planar and spherical phase interfaces for multicomponent systems using density gradient theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F19%3A00496348" target="_blank" >RIV/61388998:_____/19:00496348 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0378381218304369" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0378381218304369</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.fluid.2018.10.014" target="_blank" >10.1016/j.fluid.2018.10.014</a>
Alternative languages
Result language
angličtina
Original language name
Modelling of planar and spherical phase interfaces for multicomponent systems using density gradient theory
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20303 - Thermodynamics
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Fluid Phase Equilibria
ISSN
0378-3812
e-ISSN
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Volume of the periodical
483
Issue of the periodical within the volume
March
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
14
Pages from-to
70-83
UT code for WoS article
000456757100005
EID of the result in the Scopus database
2-s2.0-85056223160