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Information × Registration Number 0305U003250, 0103U004189 , R & D reports Title Structure, dunamics and interparticle interactions in liguid non-agueous ion-molecular systems popup.stage_title Нейтронографія та віскозиметрія неводних електролітних розчинів Head V'jnik I., Registration Date 03-03-2005 Organization Kharkov national university named after V.N. Karazin popup.description2 Objects of investigation: diethyl sulphoxide and solutions of calcium and nickel salts in methanol. The aim of this work is to obtain reliable and detailed information on the microscopic structure, ionic and molecular dynamics and interaction energies in the liquid nonaqueous ion-molecular systems (LNIMS), based on diethyl sulphoxide, and solutions of calcium and nickel salts in methanol, using experimental (neutron diffraction and viscosimetry) and theoretic (MD simulation) methods in an effort to check and improve the theoretic concepts for description their useful properties.Methods of investigation: quasielastic neutron diffraction, viscosimetry, MD simulation. The quasielastic neutron diffraction method was employed for investigation of methanol molecules protons translational diffusion in the pure methanol at 223 and 297 K, and in NiCl2 solutions in methanole with concentrations 0.3 and 1.3 mol/kg at 297 K. MD simulations were also performed for these systems. The viscosity measurements for CaCl2solutions in methanol were made. Viscosity data analysis results in the Jones-Doll B coefficients for ions and ionic pairs.MD simulation of liquid diethyl sulphoxide allowes to investigate intra- and intermolecular structure and molecules dynamics in the pure liquid. Product Description popup.authors popup.nrat_date 2020-04-02 Close