The influence of intermolecular interactions in water-salt solutions on their freezability

Автор: Fedunov R.G., Rakhimova O.S.

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Химическая физика

Статья в выпуске: 13, 2010 года.

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It has been shown that the week concentrations of the sodium acetate lower effectively the freezing temperature of water solutions in comparison with similar concentrations of chlorides of the ammonium, sodium and calcium. The analysis of the electronic structure of water elementary cluster - salt complexes has been carried out by the quantum-chemical method (RHF 6-31G). The differences of energy parameters defining a mobility of the hydrogen atoms of water molecules and a stability of water-sodium-chloride, -acetate and -formate complexes have been discovered. A possibility of the practical application of weak concentrated water solutions has been offered for the building jobs and technologies, exploitable at -10 C temperature. The analytic approach of a prediction of the new freeze-proof agents has been proposed.

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Короткий адрес: https://sciup.org/14968655

IDR: 14968655

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