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Surface tension of aqueous binary mixtures under the supercooled conditions – Development of the measuring technique and preliminary data for water + lower alcohols
Vinš, Václav ; Hykl, Jiří ; Nikl, Zbyněk ; Čenský, Miroslav ; Hrubý, Jan
An experimental apparatus originally developed for the measurement of surface tension of supercooled water was modified such that it allows for measurement of binary aqueous mixtures. The measuring principle based on the capillary rise technique is similar to that employed in the previous measurements with pure water [J. Hrubý et al., J. Phys. Chem. Lett. 5 (2014) 425 and V. Vinš et al., J. Phys. Chem. B 119 (2015) 5567]. The temperature dependence of the surface tension is determined from the\nmeasured height of the liquid column elevated in a vertical capillary tube with an inner diameter of 0.32 mm. The aqueous liquid rises to a height of 60 mm to 95 mm depending on the solute concentration and the temperature. Preliminary tests performed with the binary mixtures of water with methanol, ethanol, and n-propanol at various concentrations and temperatures down to –28 °C approved functionality of the measuring technique. Some difficulties, such as influence of impurities on the liquid column elevation or formation of bubbles in the liquid column, were observed. The experimental apparatus is further being modified in order to obtain more accurate data for various aqueous mixtures.
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Temperature and pressure correlation for volume of gas hydrates with crystal structures sI and sII.
Vinš, Václav ; Jäger, A. ; Hielscher, S. ; Span, R. ; Hrubý, Jan ; Breitkopf, C.
The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268], focused on the modeling of pure gas hydrates relevant in CCS, were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. The new correlation provides significantly better agreement with the experimental data for sI hydrates compared to the original correlation. The results of both correlations are comparable in case of sII hydrates.
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Improvements of the experimental apparatus for measurement of the surface tension of supercooled liquids using horizontal capillary tube
Vinš, Václav ; Hošek, Jan ; Hykl, Jiří ; Hrubý, Jan
An experimental apparatus with a horizontal capillary tube for measurement of the surface tension of supercooled liquids was designed and tested in the previous study [V. Vinš et al., EPJ Web Conf. 92, 02108 (2015)]. In this work, recent modifications of both the experimental setup and the measurement analysis are described. The main aim is to improve the accuracy and the reproducibility of measured surface tension and to achieve higher degrees of supercooling. Among other modifications, the optical setup observing the liquid meniscus at the open end of the horizontal capillary tube together with the video analysis were thoroughly revised. The modified apparatus was used for the measurement of surface tension of supercooled water at temperatures down to – 11 °C. The new data have a lower scatter compared to the previous horizontal measurements and show a good agreement with the other data obtained with a different measurement technique based on the modified capillary rise method.
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Molecular Simulations of the Vapor–Liquid Phase Interfaces of Pure Water Modeled with the SPC/E and the TIP4P/2005 Molecular Models
Vinš, Václav ; Celný, David ; Planková, Barbora ; Němec, Tomáš ; Duška, Michal ; Hrubý, Jan
In our previous study [Planková et al., EPJWeb. Conf. 92, 02071 (2015)], several molecular simulations of vapor-liquid phase interfaces for pure water were performed using the DL POLY Classic software. The TIP4P/2005 molecular model was successfully used for the modeling of the density profile and the thickness of phase interfaces together with the temperature dependence of the surface tension. In the current study, the extended simple point charge (SPC/E) model for water together with TIP4P/2005 were employed for the investigation of vapor-liquid phase interfaces over a wide temperature range from 250 K to 600 K. Results of the new simulations are in a good agreement with most of the literature data. TIP4P/2005 provides better results for the saturated liquid density with its maximum close to 275 K, while SPC/E predicts slightly better saturated vapor density. Both models give qualitatively correct representation for the surface tension of water.
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