Equilibrium calculations based on the Extended UNIQUAC model can be performed by calls from visual basic programs such as Microsoft Excel®. Dynamic Link Libraries (DLL-files) containing simulation tools for solid-liquid equilibrium and vapor-liquid equilibrium calculations are available. A sample program can be downloaded for free. The program includes the ions Na+, H+, Cl-, HSO4-, SO42-, and OH-. Based on the users input of temperature and composition, the program performs:
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. After the license has expired, you can come back and download a new version. The sample program comes with a short manual, that explains about installation and use of the program.
Extended versions of the program containing additional ions and solvents are generated according to the needs of customers. More advanced versions of the program with multi phase flash (vapor-liquid-solid and vapor-liquid-liquid-solid equilibrium calculations) can also be provided.
One extended version of the program includes the pressure dependency of solubility. 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.
The program is called via the Microsoft Excel® file included in the download. 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 include:
A phase diagram for the binary NaCl - H2O system:
A phase diagram for the binary Na2SO4 - H2O system:
A phase diagram for the binary NaOH - H2O system:
A triangular phase diagram for the ternary NaOH - Na2SO4 - H2O system at 30°C
A Phase diagram for the Na2SO4 - H2SO4 - H2O system at 82.5°C:
Osmotic coefficients for Na2SO4 in dilute and in supersaturated solutions at 25°C. The precipitation of glauber's salt, Na2SO4·10H2O starts at 1.9 molal Na2SO4:
Mean molal activity coefficients of NaCl solutions at 50°C. The data plotted together with the calculated line are correlated data from Clarke E.C.W. and Glew, D.N., Evaluation of the thermodynamic functions for aqueous sodium chloride from equilibrium and calorimetric measurements below 154 C., J. Phys. Chem. Ref. Data, 14(1985)489-610 (2):