Software for calculation of salt precipitation

Free demo program

Software for calculation of salt precipitation based on the Extended UNIQUAC model can be performed with Microsoft Excel® as user interface. A digitally signed sample program can be downloaded free. The program includes the ions Na+, H+, Cl, HSO4, SO42-, and OH.

Based on user input of temperature and composition, the program performs the following calculations:

  • Solid-liquid equilibrium, bubble point, saturation index (Degree of saturation/supersaturation), enthalpy of formation, heat capacity, water activity, mean molal activity coefficient,  density, freezing point depression, phase diagrams for salt systems
  • The software can be used for calculating the amount and type of salts that will precipitate from a solution at a given temperature, simulation of fractional crystallization processes and much more.

The calculation accuracy achieved with this sample program is typical for the performance of the extended versions of the program too. The license will expire after approximately one year. Use the “License Information” button in the “props” sheet to find out when the license expires. Then come back and download a new version. The sample program comes with a short manual, that explains about installation and use of the program.

A new version of this demo software was uploaded November 1, 2021. The new version of the demo program includes density calculation of salt solutions and of solid phases, a more complete set of NaOH hydrates, and more sulfuric acid salts of Na2SO4.
Excel files created with earlier versions of the demo software are not compatible with the new version.

Extended versions of the software

Extended versions of the software containing additional ions and solvents are built according to the needs of customers.

Cations can be chosen among H+, Li+, Na+, K+, Rb+, Cs+, NH4+, Mg2+, Ca2+, Ba2+, Cu2+, Ni2+, Sr2+, Fe2+, Fe3+, Zn2+, Al3+, Mn2+, Co2+ and more.

Anions can be chosen among Cl, HSO4/SO42-, OH. NO3, Br, HF/F, carbonates (CO2/HCO3/CO32-), phosphates (H3PO4/H2PO4/HPO42-/PO43-), borates (H3BO3/B4O72-/BO2) and more.

More advanced versions of the program with multi phase flash (vapor-liquid-solid and vapor-liquid-liquid-solid equilibrium calculations) can also be provided. Please tell us what ions and other species you are interested in and we will send you a quote.

Pressure dependent solubility

An extended version of the program including the pressure dependency of solubility is available. This program contains the ions Na+, H+, Mg2+, Ca2+, Ba2+, Sr2+, Cl, OH, SO42-, HSO4, CO32-, HCO3 and is meant for calculations of oil field scale or prediction of precipitation in geothermal energy production. More details about the oil field scaling calculation program here.

Integration with MATLAB from MathWorks®

The free demo program and extended versions of the program can be integrated with MATLAB. This requires a MATLAB header file which can be downloaded together with a small MATLAB script, and more information. Download header file and information about calling the model from MATLAB by clicking MATLAB_Information

Integration with SysCAD Plant Simulation Software

Our free demo program and extended versions of the program can be integrated with plant simulation software from SysCAD. SysCAD is a powerful and versatile plant simulation software, and can be used to simulate the simplest processing circuit through to a complex full plant operation. By integrating our software with SysCAD you can benefit the most from both software packages. Please contact SysCAD to purchase their software and the add-in required for the integration.

Calculation of salt precipitation

A macro-enabled Microsoft Excel® file included in the download is used as interface to the free demo program. In the excel file you can perform your own calculations with the model. You will also see a number of calculation examples which have been calculated already. These are included in the gallery below:

Click to enlarge diagrams:

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