Ele-Ther

Among the most complex homogeneous fluid phase systems that industry has to work with, one finds reactive liquids that contain multiple solvents and electrolytes. This was already pointed out by the European Working Party on Thermodynamics and Transport Properties [1]. In order to develop a common vision on data analysis and model parameterization, IFP Energies nouvelles (IFPEN) has launched a Joint Industry Project that has at this point seven partners. The work will focus on following aspects:

- Data analysis. The proposal consists in collecting data related to phase equilibrium, and find representations that highlights the main trends and relevant descriptors (wrt temperature, ionic size, hydrocarbon length, ...) and to evaluate global consistency. A predictive framework (GC-ePPC-SAFT - an electrolytic version of SAFT) may be used to that end.

- Regression strategy. As many industrial applications are based on commercial electrolyte models, that often contain many adjustable parameters, it appears of crucial importance to help the user identify which parameters are most sensitive to what property. Some examples of industrial partners will be used for the implementation and application of the methodology developed.

A number of systems that are common to the partners have been prioritized including physical and reactive behaviours. The final objective is to propose best practice methodology documents that can be shared widely in the industrial community.

[1] E. Hendriks, G.M. Kontogeorgis, R. Dohrn, J.C. de Hemptinne, I.G. Economou, L.F. Z¦îilnik, V. Vesovic, Ind.Eng.Chem.Res. 49 (2010) 11131–11141