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National Repository of Grey Literature 1 records found  Search took 0.01 seconds. 
Mathematical modeling of planar and spherical vapor–liquid phase interfaces for multicomponent fluids
 Celný, David ; Vinš, Václav ; Planková, Barbora ; Hrubý, Jan
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.
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