Indonesian Journal of Chemistry
Vol 7, No 1 (2007)

THE PREFERENTIAL STRUCTURE OF Co2+ SOLVATION IN AQUEOUS AMMONIA SOLUTION DETERMINING BY MONTE CARLO SIMULATION

Cahyorini Kusumawardani (Chemistry Education Department, Faculty of Mathematics and Natural Sciences, State University of Yogyakarta, Karangmalang, Depok, Yogyakarta 55283, Indonesia)
Sukisman Purtadi (Chemistry Education Department, Faculty of Mathematics and Natural Sciences, State University of Yogyakarta, Karangmalang, Depok, Yogyakarta 55283, Indonesia)
Crys Fajar Partana (Chemistry Education Department, Faculty of Mathematics and Natural Sciences, State University of Yogyakarta, Karangmalang, Depok, Yogyakarta 55283, Indonesia)
Harno Dwi Pranowo (Austrian–Indonesian Center for Computational Chemistry (AIC), Gadjah Mada University, Yogyakata)
Mudasir Mudasir (Austrian–Indonesian Center for Computational Chemistry (AIC), Gadjah Mada University, Yogyakata)

Article Info

Publish Date
15 Jun 2010

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.

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Journal Info
Indonesian Journal of Chemistry
Website

Abbrev

ijc

Publisher

Universitas Gadjah Mada

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry

Description

Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology ...