DownloadAfter 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/
Features
- Command based Interface
- Chemistry
- Thermodynamic
- Aqueous Electrolyte
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SoluCalc is a open source program written by Java, using for ternary phase diagram calculation of electrolyte solutions. There is built in three electrolyte activity coefficients model(Pitzer's ions interaction model, Chen NRTL model and Extended UNIQUE model), among them Pitzer's model have been accomplished. Chen NRTL, PSC, MSE, and Extended UNIQUE model will be added as soon as possible. As for SoluCalc is based on command line. For calculating mixed electrolyte solutions solubility, user need build up an input file, including elements, species, minerals, temperature, step, pitzer's parameters and precision. At present version, SoluCalc can only output solubility data to console or output file, users can use mode scanning tools(like awk) to process the result, and then use ploting tools(like gnuplot or qtiplot) to create a visual diagram. In the "examples" folder, there are some examples show you how to use it, later a comprihensive manual will be available here. Please let's look forward!