Dear Solucalc Users,
Thanks for your sincerely attention to Solucalc. Solucalc is an early version of my works. I tried to provide a more efficient, universal and reliable software in phase equilibrium calculation involving electrolyte aqueous. Electrolyte aqueous is of great significance in salt lake and seawater resources extraction, and geochemistry thermodynamic. Pitzer's model is a widespread used tool in seawater and brine simulation. There are many tools in which the Pitzer's model was implemented. PHREEQC, EQ3/6, FREZCHEM, Chemsage et. al have been widely used in the world. These software include privately ones and open source ones. Expect for the Pitzer's model, Extended UNIQUAC model is also a good model in dealing with electrolyte and mixture solution. Kaj Thomsen in DTU has developed a in house software for solving phase equilibrium in which the activity of components was represented by a Extended UNIQUAC model. Everybody in the world can download a demo program on http://phasediagram.dk/products.htm
After about a year's design and coding, now a advanced version of Solucalc has been developed. The advanced version is called ISLEC, which used a Particle swarm based Gibbs free energy minimization approach to solve the equilibrium problem. At the same time, the Pitzer's model proposed by C. E. Harvie & J. Weare in 1980 was persisted.
ISLEC has many features:
1. Single point calculation was used instead of line calculation
2. Database was used instead of putting all the parameters in the input file
3. The structure of the database is simple and flexible
4. The algorithm for solving phase equilibrium is fast and robust
5. Model parameters given in literature can be easily use
6. Single temperature parameters and multi-temperature parameters have unified format
Everyone can download the software and the source code on:
http://sourceforge.net/projects/islec/
It is noticeable that the new program was coded by C language instead of JAVA in Solucalc.
And the advanced version ISLEC can used on the GNU/Linux compatible Operating Systems only.
Thanks for you attention continually. Any questions and discussions are warmly welcomed.