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Information × Registration Number 0122U200282, ( 0222U005281  ) R & D request Title Theory and computer simulations of ionic materials Head Trokhymchuk Andrii D., Доктор фізико-математичних наук Registration Date 16-06-2022 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description1 Ionic materials include a wide class of systems, in particular, aqueous electrolytes, molten salts, ionic liquids at room temperature, charged colloidal suspensions and protein solutions. All these substances are important for modern technology. Therefore, the issue of accurate prediction of the properties of these substances both in pure form and in the case of mixtures and solutions with their participation is on the agenda. This project is based on original ideas already used and researched by the authors of this project in the case of nonionic materials, where theoretical approaches have been developed for thermodynamic properties, the results of which significantly improve the consistency with the data of a computer experiment. In the previous stage of the project, a simplified non-trivial model of ionic liquid was developed. The purpose of the final stage of the project is application of the developed theory to calculate the free Helmholtz energy for model ionic systems and its use for study of phase coexistence, as well as the calculation of equilibrium structural and thermodynamic properties of ionic materials. popup.nrat_date 2024-12-09 Close