The first system contains an organic acid, a hydroxide salt and an alcohol.
Because of the data availability, following system is investigated:
Acetic acid + potassium hydroxide + water + methanol
Specific issues are the lack of speciation data. Gibbs energies of transfer will be necessary.
High pressure VLE (with gaseous components)
The second system is taken from the CO2 capture process: water + methanol + CO2(acid) + DEA (base).
Specific issues that come up are the description of high pressure conditions with the Henry constant approach
Liquid-Liquid equilibrium
A system that is of interest in the biomass treatment industry is water + butanol (cosolvent) + Acetic acid + Sodium hydroxide
The particularity of this system is the presence of a liquid-liquid equilibrium.
Program Timeline
Work and Organisation
The experience of the first EleTher JIP has led us to construct the program around four work packages:
WP1: Data analysis
This work package aims at investigating the existing data and evaluate tools for validating their consistency. Following types of data are under investigation:
Phase equilibrium equilibrium
Osmometry
Potentiometry (mean ionic acvtivity coefficients)
Conductimetry
Spectroscopy
WP2: Benchmarking tools
Case studies have been defined on which a number of commercial models are evaluated. Here are some models of interest:
WP3: Regression and sensitivity analysis
All collaborators who have worked with electrolytes recognize that parameter regression is an essential, yet extremely difficult issue. It entails:
Constructing an objective function based on existing data, preferentially data of different origin
Selecting the adequate parameters (less parameters than datapoints). Often a large number of such parameters exist
Evaluating the sensitivity of the objective function to the parameters
In the previous edition of EleTher, the work has pointed to the correlations that exist among parameters, as illustrated below. The newly available LAGUN platform will be tested to this end.
WP4: Dissemination
The aim of the EleTher JIP is to encourage collaborative actions on the subject of Electrolyte Thermodynamics. Hence, we plan to publish in scientific journals, be present in conferences, and allow for academic collaborations.