||Development of program to calculate phase diagrams for electrolyte solutions
||Vogt, Mathias (Department of Chemical Engineering, Technical University of Denmark, DTU, DK-2800 Kgs. Lyngby, Denmark)
||Thomsen, Kaj (Center for Phase Equilibria and Separation Processes (IVC-SEP), Department of Chemical Engineering, Technical University of Denmark, DTU, DK-2800 Kgs. Lyngby, Denmark)
||Technical University of Denmark, DTU, DK-2800 Kgs. Lyngby, Denmark
||Based on the Extended UNIQUAC Model described by Thomsen  in 1997, the computer program IVC-ELEC for calculating phase diagrams of electrolyte solutions was developed at the IVC-SEP Institute at DTU, Lyngby. This program is used for the calculation of phase diagrams of aqueous electrolyte solutions. However, the program is only able to deal with a limited range of solutions. Only systems containing water and up to 4 different ions can be calculated.
The aim of this thesis was to expand this routine to solutions containing water, salt and a neutral component. This was done by programming new routines which use a new way of calculating the SLE.
One routine calculates solubility diagrams at various temperatures. In this routine, the user can choose the composition of the solvent. It can consist of water and a fixed amount of a neutral component, which has to be specified before starting the calculation.
The range of possible solvent compositions is only limited in the way that a solvent containing no water is not possible.
The second routine calculates solubility diagrams at constant temperature. Compared to the old routine, the new one is able to deal with the appearance of a LLE region and calculates automatically its LLE tie lines.
||Department of Chemical Engineering, Technical University of Denmark, DTU : DK-2800 Kgs. Lyngby, Denmark
Creation date: 2006-06-22
Update date: 2012-12-19