# ISLEC

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In the software, Harvie extended Pitzer's model has been used as the electrolyte aqueous solution model (for details, you can see Harvie & Weare1980,1984 and 1987). For solving solid-liquid equilibrium of a given system including water and some kind salt only, Gibbs free energy minimization procedure has been implemented. As we known, Gibbs energy minimization(GEM) procedure is a optimization procedure in mathematics aspect. For solving constrained optimization problem, there are many many method, which include determined methods and stochastic methods. In 1980, Harvie&Weare used a Newton type method for calculating solid-liquid equilibrium, and in 1987, they gave the method in details. In ISL Equilibrium Calculator, we used a Particle Swarm Algorithm to solve the Gibbs energy minimization problem.

ISL Equilibrium Calculator is a databank based software also, like EQ3/6. The databank file is independent with the program, so users can modify the databank file, or create his/her own databank if necessary. And there is no need to modify the source code. All the databank files in the source code(islec-x.x.x/databank/) have been tested, and the results are putted in the directory(islec-x.x.x/test/). For every sub-system, there is a validation plot, where calculated values and experimental values are plotted together. But it is noticeable, we are not sure the experimental data used is accurate or not.

Last updated on

**April 23rd, 2013**