Association Electrolyte Model

The RAPID Center for Process Modeling team at Texas Tech University has developed a model illustrating their Association Electrolyte Model work. The association electrolyte model explicitly considers the solution non-ideality
due to associations among ions and solvent species and greatly improves the accuracy over prior models for electrolyte solutions containing ionic species with high surface charge density.  The excess Gibbs free energy due to ion hydration and ion-pair formation is considered using the association theory.  The longrange and the short-range interactions are
inherited from the electrolyte non-random two-liquid (eNRTL) model and calculated with the Pitzer-Debye-Hückel equation and the local composition theory, respectively. The association electrolyte model can be applied to the entire
concentration range from infinite dilution to pure salt and can be extended to mixed-salt systems without mixing
rules. The association electrolyte model has been demonstrated with superior accuracy over a wide range of
concentration and temperature and has a great potential to be the next-generation model for electrolyte
solutions.

The model package includes this user manual, a manuscript of association electrolyte model, nine Fortran subroutine files, an Aspen example file, and a linker file (.dlopt file).