How can solutions containing electrolytes and non-electrolytes be simulated together?
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Has anyone simulated lithium battery electrolytes? Lithium battery electrolytes are mixtures of organic solvents and lithium hexafluorophosphate; this involves electrolytes and non-electrolytes. How can one choose a thermodynamic model using ASPEN PLUS? Can I make the selection as shown in the figure below?
To simulate solutions containing electrolytes and non-electrolytes together, it is necessary to use the electrolyte module in ASPEN PLUS. For the simulation of lithium battery electrolytes, the Mixed-Solvent Electrolyte model in the electrolyte module can be selected. In this model, the physical properties and chemical reactions of non-electrolyte components and electrolyte components can be set, and the corresponding thermodynamic parameters can be calculated. Choosing the aforementioned model is feasible, but parameter settings and adjustments need to be made based on actual conditions to ensure the accuracy of the simulation results. It is recommended to conduct in-depth research on relevant literature on the system before selecting a thermodynamic model. .
Thank you very much for your reply. Why didn’t I see the Mixed-Solvent Electrolyte model you mentioned?