THERMODYNAMIC MODELING OF SOLUTIONS AND ALLOYS - SCHLOSS-RINGBERG, MARCH 10-16, 1996 - GROUP 1 - LIQUIDS

Group discussions centered on four major topics. (1) The importance to solution modeling of realistic extrapolations of C-p pure liquids bel ow their melting points was underlined. (2) The use of interpolation m odels in the dilute solution ranges of multicomponent solutions was di scussed. The commonly used Muggianu model is not good in this respect, the Toop model being more physically realistic. The Kohler model may be a good compromise. The more sophisticated coordination cluster theo ry provides good predictions for dilute solutions of one or more compo nents. (3) For solutions exhibiting short-range order, the similaritie s and differences among the association, one-sublattice quasichemical and two-sublattice liquid models were elucidated. It was shown that th e Gibbs energy equations of these models are very similar se that, wit h only slight modifications, nearly the same model subroutines can be used for all three. (4) Models for molten salt and molten oxide soluti ons were discussed, with emphasis on the Conformal Ionic Solution Theo ry, the two-sublattice quasichemical model, and the two-sublattice liq uid model. The similarities and differences among these models were sh own.