DIELECTRIC PROPERTIES OF WATER-MIXED SODIUM BORHYDRATES

Abstract

The dielectric properties of sodium borohydride mixed with water were studied
using molecular dynamics simulations. Various concentrations of water and
sodium borohydride were used in the model system. The values of dielectric
permittivity and excess permittivity of solutions were calculated. Dielectric parameters was compared according to different concentrations of water and sodium
borohydride in solutions. These studies were carried out using the GROMACS
software package. According to the studies, at x ~ 0.2 molar concentrations of
sodium borohydride, excess values of the dielectric constant were observed, and in
a binary mixture of sodium borohydride - water, heteromolecular structures with
the largest number of hydrogen bonds were formed