Electrolyte CPA

Utilization of our Thermodynamic MATLAB tool for electrolyte calculations

Our work on electrolyte CPA is ongoing and in development. The current status allows us to showcase scripts for several calculations for electrolyte solutions. Calculations with eCPA uses our Thermodynamic Matlab Tool also showcased for other applications.

In order to do calculations, the model needs to be initialized and for this several different initialization functions is available depending on which system and number of salts is requested.

When initialized, several outputs can be taken from the model. We have created easy to use scripts for calculations of:

  • Osmotic coefficient, Mean Ionic acitivity coefficient and water activity for single salt water mixtures
  • Osmotic coefficient, Mean Ionic acitivity coefficient and water activity for mixed (2) salts water mixtures
  • Solubility of single salt in water over an extended Temperature range. 

These scripts only require input of: salt, composition, temperature and pressure, in order to obtain a suitable output.

A more complex script, requiring slightly more knowledge of both matlab (programming) and thermodynamics is also available for calculation of:

  • Solubility in a mixed salt water system at a specified temperature.

This script requires more manual input and thus a better overview of the script.


Contact

Anders Tviis Schlaikjer
PhD student
DTU Chemical Engineering
+45 40 43 52 34