Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

0392007 - ÚT 2014 RIV FR eng C - Conference Paper (international conference)
Planková, B. - Hrubý, Jan - Vinš, Václav
Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state.
EFM12 - EXPERIMENTAL FLUID MECHANICS 2012. Liberec: Technical University of Liberec, 2013 - (Dančová, P.; Novotný, P.). EPJ Web of Conferences, 45. ISBN 978-80-7372-912-7. ISSN 2100-014X.
[Experimental Fluid Mechanics 2012 /7./. Hradec Králové (CZ), 20.11.2012-23.11.2012]
R&D Projects: GA AV ČR IAA200760905; GA ČR(CZ) GPP101/11/P046; GA ČR GA101/09/1633; GA MŠMT LA09011
Institutional support: RVO:61388998
Keywords : gradient theory * n-alkanes * nucleation * PC-SAFT equation of state
Subject RIV: BJ - Thermodynamics
http://dx.doi.org/10.1051/epjconf/20134501076

In this work, we used the Density Gradient Theory combined with the cubic equation of state (EoS) by Peng and Robinson and the perturbed chain PC-SAFT EoS. We continued in our previous works by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements. We applied the DGT for the n-alkanes because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the DGT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.
Permanent Link: http://hdl.handle.net/11104/0228715