Relevant chemical separations for the petrochemical and
chemical
industries include the removal of aromatic hydrocarbons from aliphatics,
the desulfurization and denitrification of fuels, and the separation
of azeotropic mixtures containing alkanols. In an attempt to contribute
to the development of novel technologies, the potentialities of imidazolium
chloride ionic liquid (IL) mixtures as separation agents were investigated.
Selectivities, capacities, and solvent performance indices were calculated
through the activity coefficients at infinite dilution of organic
solutes and water in the imidazolium chloride IL: [C8mim]Cl,
[C12mim]Cl, and the equimolar mixture of [C4mim]Cl and [C12mim]Cl. Results show that the imidazolium
chloride IL might be appropriately tailored for specific purposes,
in which an increase in the proportion of cations containing larger
alkyl chains tends to increase the overall affinity with organic solutes.
The IL designer solvent concept was explored by comparing the IL equimolar
mixture results with the intermediary [C8mim]Cl. The COSMO-RS
thermodynamic model was also applied, showing it to be a promising
tool for a fast qualitative screening of potential separation agents
for specific separation processes.