Registration Number
0200U003538,
0197U008103
, R & D reports
Title
Nonculon interions interactions in solutions with low and middle dielectric conductance
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Head
V'yunyk I.M.,
Registration Date
06-06-2000
Organization
Kharkov National University named after V.N. Karazin
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Electric conductance of NaBPh4, Bu4NBr, Bu4NBPh4 solutions in acetone (278-318 К), LiClO4, NaClO4, NaBPh4, Bu4NClO4 solutions in ethylacetate (278-318 К) and NaClO4, NaBPh4, Bu4NClO4 solutions in butanol (50% mass) – water mixtures (298-368 К) was measured. The new method of conductance data processing was used, taking into account ion-triple formations. Limiting molar conductance and association constants for measured systems were calculated. Viscosities of solutions NaCl, NaBr, NaBPh4, Bu4NBr, CaCl2, NiCl2 and CdCl2 in dimethyl sulfoxide were measured at 298-343 К. Values of B parameter of Jones-Dole equation were calculated to estimate influence of temperature and ion charge and size on interparticle interactions in solutions. There are three groups of ions divided by their influence on the solvation dynamics: a) large organic ions; b) single- and double-charged cations of s-elements and c) double-charged cations of d-elements. The series of molecular dynamics simulations vas carried out for systems a) 216 dimethyl sulfoxide (DMSO) molecules; b) ion Na+ – 215 DMSO molecules; b) ion Ca+ – 215 DMSO molecules; b) ion Cl– – 215 DMSO molecules. The sets of structural and dynamic characteristics of first and second solvation shells were calculated for modeling systems.
Product Description
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2020-04-03
