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All Journal Indonesian Journal of Chemistry
Crys Fajar Partana
Chemistry Education Department, Faculty of Mathematics and Natural Sciences, State University of Yogyakarta, Karangmalang, Depok, Yogyakarta 55283, Indonesia
Chemical Engineering, Chemistry & Bioengineering Chemistry

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THE PREFERENTIAL STRUCTURE OF Co2+ SOLVATION IN AQUEOUS AMMONIA SOLUTION DETERMINING BY MONTE CARLO SIMULATION Cahyorini Kusumawardani; Sukisman Purtadi; Crys Fajar Partana; Harno Dwi Pranowo; Mudasir Mudasir
Indonesian Journal of Chemistry Vol 7, No 1 (2007)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (177.148 KB) | DOI: 10.22146/ijc.21710

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.
Co-Authors Cahyorini Kusumawardani Harno Dwi Pranowo Mudasir Mudasir Sukisman Purtadi