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The modeling of processes of hydration and structuring ethanol in the conditions of processing by DPIE

By Ірина Олександрівна Дубовкіна

Abstract

Проведено моделювання процесів гідратації і структурування етанолу. Розглянуто механізм змішування води та спирту при отриманні водно-спиртових сумішей в умовах обробки ДІВЕ. Визначені оптимальні умови утворення водневих зв’язків у водно-спиртових сумішахПроведено моделирование процессов гидратации и структурирования этанола. Рассмотрен механизм смешивания воды и спирта при получении водно-спиртовых смесей в условиях обработки ДИВЭ. Определены оптимальные условия образования водородных связей в водно-спиртовых смесяхDue to the development  of  technologies the production of  various substances and improvement of  existing water-alcohol mixtures are widely used in various industries. In conventional devices energy is uniformly  distributed throughout the size and that is why the main part of it falls on the technologically useless circulation of interacting components. The application of processes and devices, based on the principle of discrete input of energy, is devoid of these deficiencies and allows to enhance significantly the technological parameters of the process, for example, to reduce the energy intensity  of output  compared to conventional devices. This article describes the mechanism of mixing of water and alcohol in obtaining water- alcohol mixtures under processing conditions of discrete input of energy. The article represents the results of modeling of hydration processes and structuring of ethanol by the methods of computational chemistry (molecular dynamics). The modeling showed that the hydrogen bond in water-alcohol mixtures is formed: - If the distance to the hydrogen donor is less than 3,2 Å; - The angle of the covalent bond of donor and acceptor is less than 1200. It  was  found   that  the  water-alcohol  mixture  in  processing yields  to  the  influence   of  high-frequency hydrodynamic  vibrations, angular velocities and large transverse strains, which allow obtaining mixtures with a high degree of hydratio

Topics: Дискретно-імпульсне введення енергії (ДІВЕ); водно-спиртові суміші, УДК 536.423+532.528, Дискретно-импульсный ввод энергии (ДИВЭ); водно-спиртовые смеси, , Discrete input of energy; water-alcohol mixtures; hydration; method of computational chemistry
Publisher: 'Private Company Technology Center'
Year: 2012
DOI identifier: 10.15587/1729-4061.2012.5564
OAI identifier: oai:ojs.journals.uran.ua:article/5564
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