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Investigation of droplet nucleation in CCS relevant systems – design and testing of the expansion chamber
Čenský, Miroslav ; Hrubý, Jan ; Vinš, Václav ; Hykl, Jiří ; Šmíd, Bohuslav
A unique in-house designed experimental apparatus for investigation of nucleation of droplets in CCS relevant systems is being developed by the present team. The apparatus allows simulating various processes relevant to CCS technologies. Gaseous mixtures with CO2 are prepared in a Mixture Preparation\nDevice (MPD) based on accurate adjustment of flow rates of individual components [EPJ Web of Conferences 143, 02140 (2017)]. The mixture then flows into an expansion chamber, where it undergoes a rapid adiabatic expansion. As a consequence of adiabatic cooling, the mixture becomes supersaturated and nucleation and simultaneous growth of droplets occurs. In this study, we describe the design and testing of the expansion part of the experimental setup. The rapid expansion was realized using two valve systems, one for low pressures (up to 0.7 MPa) and the other for high pressures (up to 10 MPa). A challenge for a proper design of the expansion system is avoiding acoustic oscillations. These can occur either in the mode of Helmholtz resonator, where the compressible gas in the chamber acts as a spring and the rapidly moving\ngas in the valve system as a mass, or in the “flute” mode, where acoustic waves are generated in a long outlet tubing.\n
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Consistency of empirical corrections of the classical nucleation theory for nucleation in steam with nucleation experiments and molecular simulations
Hrubý, Jan ; Duška, Michal ; Němec, Tomáš ; Kolovratník, M.
We compare experimental nucleation rates for water vapour in various carrier gases, nucleation rates deduced from empirical adjustments of the classical nucleation theory (CNT) earlier developed to reproduce pressure and optical data for condensing steam flows in converging-diverging nozzles and turbine stages, and ucleation rates obtained from molecular simulations. Results of original molecular dynamic simulations for TIP4P/2005 force field in the NVE conditions are provided. New experimental nucleation rate data sets are generated based on empirical CNT corrections by Valha and Nedbal (1980) and by Petr and Kolovratník (2011). Correction of the CNT for non-isothermal nucleation conditions is applied to experimental, simulated and the derived experimental data. The derived experimental\nnucleation rate data follow a similar temperature trend as the nucleation rate data for water vapour in carrier gases at lower temperatures. The ratio of observed nucleation rates to CNT predictions decreases more steeply with temperature than the empirical correction by Wölk et al. (2002). Ratios of nucleation rates computed from molecular simulations to CNT predictions do not show a significant temperature trend.
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Investigation of droplet nucleation in CCS relevant systems – Design and testing of a CO2 branch of the mixture preparation device.
Vinš, Václav ; Čenský, Miroslav ; Hykl, Jiří ; Hrubý, Jan
A unique in-house designed experimental apparatus for investigation of nucleation of droplets in CCS relevant systems is being developed by our team. The nucleation is measured with the help of a rapid pressure drop within an expansion chamber. In this study, a CO2 branch representing an important part of the mixture preparation device (MPD) was designed, assembled and tested. MPD is intended for preparation of CO2-rich mixtures in a sense of accurate setting of flow rates of individual gaseous components through the experimental section with the expansion chamber. In the CO2 branch, the saturated liquid CO2 is pressurized by a supercritical pump to the pressures of up to 340 bar. The required mass flow of the supercritical CO2 is accurately tuned with a help of a set of stainless steel capillary tubes. Needed lengths of the capillary tubes were determined with a help of a one-dimensional numerical model allowing prediction of both isothermal and adiabatic flow conditions.
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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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