Prediction of ionic liquids solubility parameter using PC-SAFT equation of state

In this work, the solubility parameters of three families of ionic liquids (ILs) have been predicted using the PCSAFT equation of state (EoS). The effect of association interaction between ILs molecules on the solubility parameter has been studied. Four scenarios have been considered to optimize the model parameters. In scenario 1, the ILs have been considered as non-associating components and in scenarios 2 to 4, 2B, 3B, and 4C schemes for association interaction between ILs molecules have been considered. The model parameters have been obtained using liquid density experimental data. The molecular approach has been utilized to optimize the model parameters. Using obtained model parameters, the solubility parameter of ILs has been predicted without using any additional adjustable parameter. The results show that, the association schemes have a minor effect on solubility parameter prediction. For all scenarios, the PC-SAFT EoS predicts the solubility parameter at various temperatures satisfactory. This model can be of great interest to engineers to select and design the optimum solvent for specific processes.

Automated summary

In this study, the solubility parameters of three families of ionic liquids (ILs) were predicted using the PCSAFT equation of state (EoS). The effect of association interaction between ILs molecules on solubility parameters was investigated. Four scenarios were considered to optimize the model parameters. The results showed that the PC-SAFT EoS satisfactorily predicted the solubility parameters of ILs, making it a valuable tool for engineers in solvent selection and process design.