Thermodynamic evaluation and optimization of the (NaCl+KCl+MgCl2+CaCl2+MnCl2+FeCl2+COCl2+NiCl2) system

摘要

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)Cl-3 and the (Na,K)2(Mg,Mn,Fe,Co,Ni)Cl-4 solid solutions were modeled using the Compound Energy Formalism. (C) 2004 Elsevier Ltd. All rights reserved.