Mathematical modeling of planar and spherical vapor–liquid phase interfaces for multicomponent fluids

0451770 - ÚT 2016 CZ eng C - Konferenční příspěvek (zahraniční konf.)
Celný, David - Vinš, Václav - Planková, Barbora - Hrubý, Jan
Mathematical modeling of planar and spherical vapor–liquid phase interfaces for multicomponent fluids.
Experimental Fluid Mechanics 2015. Liberec: Polypress s.r.o, 2015 - (Dančová, P.; Veselý, M.), s. 106-111
[Experimental Fluid Mechanics 2015 /10./. Praha (CZ), 17.11.2015-20.11.2015]
Grant CEP: GA ČR(CZ) GAP101/11/1593; GA MŠMT(CZ) 7F14466
Institucionální podpora: RVO:61388998
Klíčová slova: spherical phase interface * gradient theory * PC-SAFT EoS
Kód oboru RIV: BJ - Termodynamika

Methods for accurate modeling of phase interfaces are important for understanding natural processes and application in technology. In particular, prediction of the non-equilibrium phase transition requires the knowledge of the strongly curved phase interfaces of microscopic droplets. In our work, we focus on the spherical vapor–liquid interfaces for binary mixtures. We developed a computational method able to determine the density and concentration profiles. The fundamentals of our approach lie in the gradient theory, allowing to transcribe the functional formulation into a system of Euler-Langrange equations. System is then modified into a shape suitable for iterative computation. For this task, we employ the Newton-Raphson and the shooting methods ensuring a good convergence speed. For the thermodynamic properties, the PC–SAFT EoS is used. We determined the density and concentration profiles of the binary mixture C O 2 & C 9 H 20 for spherical phase interfaces at various saturation factors.
Trvalý link: http://hdl.handle.net/11104/0254899