화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.47, No.6, 2100-2108, 2008
Simultaneous correlation of liquid-liquid, liquid-solid, and liquid-liquid-solid equilibrium data for water plus organic solvent plus salt ternary systems: Hydrated solid phase formation
The condensed phase equilibrium behavior of water + organic solvent + salt systems, when different hydrates are formed in the solid phase, increases the number of equilibrium zones, substantially complicating the simultaneous correlation of the equilibrium data in all the existing regions. In this paper, a procedure to perform the correlation of this type of system is presented in great detail, using, as an example, the water + I-butanol + LiCl ternary system, where the salt appears in two forms: anhydrous and monohydrated (LiCl center dot H2O). To this end, the non-random two-liquid (NRTL) model for the excess Gibbs energy (G(E)) has been implemented, because the assumption of an electrolytic character for the solution in the liquid phase, despite being potentially more correct physically, does not give more flexibility to the G(E) function, as was discussed in a previous work. The common tangent plane criterion is used as an equilibrium condition to determine the equilibrium compositions in all the regions. The results obtained show the limitations of the NRTL equation to model this type of system, as a consequence of its lack of flexibility, in terms of the topological concepts that are related to the Gibbs energy of mixing (G(M)) function and the tangent plane criterion.