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Information × Registration Number 0121U114025, ( 0222U002721  ) R & D request Title Theory and computer simulations of ionic materials Head Trokhymchuk Andrii D., Доктор фізико-математичних наук Registration Date 24-11-2021 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description1 The ultimate scientific goal of the project is to develop reliable theoretical approach for prediction of the equilibrium and phase coexistence properties of ionic materials. The systems, which can be considered as ionic materials include aqueous electrolytes, molten salts, room temperature ionic liquids, charged colloidal suspensions and protein solutions. Such materials are of immense scientific and technological importance. The project is based on original ideas already employed and examined by authors of this project for the non-ionic materials, where they yielded excellent results. But the application to ionic fluids is likely to present some interesting challenges. More precisely, we are aiming to construct a perturbation theory approach which only requires computation of a leading-order correction to study and predict thermodynamic properties of ionic materials. Besides, project includes development of the simplest nontrivial model for room-temperature ionic liquids as well as generation of new computer simulation data and new insights on this important class of new materials. popup.nrat_date 2024-12-09 Close