Published September 2004 | Version v1
Journal article

Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system

Description

A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the (NaCl + KCl + MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system, and optimized model parameters have been found. The (MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) subsystem has been critically evaluated in a previous article. The model parameters obtained for the binary subsystems can be used to predict thermodynamic properties and phase equilibria for the multicomponent system. The Modified Quasichemical Model was used for the molten salt phase, and the (MgCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) solid solution was modeled using a cationic substitutional model with an ideal entropy and an excess Gibbs free energy expressed as a polynomial in the component mole fractions. Finally, the (Na,K)(Mg,Ca,Mn,Fe,Co,Ni)Cl3 and the (Na,K)2(Mg,Mn,Fe,Co,Ni)Cl4 solid solutions were modeled using the Compound Energy Formalism

Additional details

Identifiers

DOI
10.1016/j.jct.2004.05.005;
PII
S0021961404001016;

Publishing Information

Journal Title
Journal of Chemical Thermodynamics
Journal Volume
36
Journal Issue
9
Journal Page Range
p. 809-828
ISSN
0021-9614
CODEN
JCTDAF

Optional Information

Copyright
Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.