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Current issue   Ukr. J. Phys. 2016, Vol. 61, N 9, p.812-818
https://doi.org/10.15407/ujpe61.09.0812    Paper

Savenko V.S., Verbinska G.M., Bulavin L.A.

Taras Shevchenko National University of Kyiv
(64, Volodymyrs’ka Str., Kyiv 01601, Ukraine; e-mail: volodymyr.savenko@ukr.net)

Computer Simulation of Evaporation Process of NaCl Aqueous Solution

Section: Soft Matter
Original Author's Text: English

Abstract: The evaporation of aerosol droplets is an important aspect of industry and science. Although the theoretical background of this process was developed more than one century ago and is complemented nowadays by various corrections, its formulas are not completely relevant for the evaporation process: they often give just crude estimations for complex systems. The com-puter simulation is an appropriate tool for the calculation of parameters of the evaporation of aerosols. In this paper, we present a model for the computer simulation of the evaporation of ionic solutions. Salt NaCl is chosen for the role of electrolyte due to its simplicity and widespread application. The simulation process is based on the Monte-Carlo method. We con-sider the temperature T, pressure of the environment P, and NaCl concentration as income parameters of the simulation and the evaporation coefficient as an outcome one. To simulate the interaction between water molecules, the Stockmayer and Lennard-Jones potentials are used. To estimate the efficiency of the proposed model, the evaporation coefficient was measured experimentally. It is shown that the experimentally obtained evaporation coefficients have the same order of magnitude as ones calculated by means of the computer simulation.

Key words: computer simulation, evaporation process, NaCl aqueous solution, Monte-Carlo method.


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