THE PREFERENTIAL STRUCTURE OF Co2+ SOLVATION IN AQUEOUS AMMONIA SOLUTION DETERMINING BY MONTE CARLO SIMULATION
ABSTRACT: A Monte Carlo
simulation was performed for Co2+ in 18.6 % aqueous ammonia solution at a
temperature of 293.16 K, using ab initio pair potentials and three-body
potentials for Co–H2O–H2O, Co–NH3–NH3 and Co–H2O–NH3 interactions. The first
solvation shell consists average of 2.9
water and 3.2 ammonia molecules, and the second shell of 10.4 water and 11.2
ammonia molecules. The structure of the solvated ion is discussed in terms of
radial distribution functions, angular distributions and coordination number.
Author: Cahyorini
Kusumawardani, Sukisman Purtadi, Crys Fajar Partana, Harno Dwi Pranowo and Mudasir
Journal Code: jpkimiagg070005
