The properties of [EMIM][BF4] + [EMIM][TFSI] double salt ionic liquid (DSIL) were studied as a function of
mixtures composition and temperature. Experimental physicochemical properties combined with molecular
simulation (quantum chemistry and classical molecular dynamics) were considered, thus providing a
micro and macroscopic characterization of fluids’ structuring, intermolecular forces and molecular aggregation.
The results were analysed in thermodynamics terms considering deviations of ideality and mixing
properties as well as from the solvation and interaction between the involved ionic liquids by the developed
complex hydrogen bonding networks. Likewise, liquid [EMIM][BF4] + [EMIM][TFSI] interfaces
(x[EMIM][BF4] = x[EMIM][TFSI] = 0.5) were also studied using molecular dynamics methods to examine the diffusion
of [BF4]- and [TFSI]- anions in the [EMIM][BF4] + [EMIM][TFSI] liquid interface, and the mechanism
of interface crossing. The results allow a multiscale characterization of the considered ionic liquid mixtures
thus providing another way of designing IL-type solvents for specific applications, by choosing
not only the ion identity but also the ion ratio.
