In the presence of ethanol (EtOH),
supercritical carbon dioxide
(scCO2) microemulsions containing 1-ethyl-3-methylimidazolium
bis(trifluoromethylsulfonyl)imide ([Emim][Tf2N]) ionic
liquid (IL) based on nonionic surfactants (Ls-45, Ls-54, Ls-36, Dynol-604,
and TMN-6) were constructed. We investigated the solubilization effect
of the microemulsion for [Emim][Tf2N] and analyzed the
factors that affected the cloud point pressure (CPP), including temperature,
IL concentration, and EtOH concentration. The results showed that
as the temperature and IL concentration increased, the CPP gradually
increased. Besides, small amounts of EtOH could decrease the CPP of
the system. Furthermore, the higher the EtOH concentration, the more
the CPP decrease. The results indicated that the addition of EtOH
was beneficial to the stabilization of the microemulsion. Molecular
dynamics (MD) simulations were performed to have an insight into the
microstructure of Ls-45/[Emim][Tf2N]/CO2 ternary
and EtOH/Ls-45/[Emim][Tf2N]/CO2 quaternary microemulsion
systems. The snapshots of the two systems were presented, and the
radial distribution function (RDF), the gyration radius (R
g), density distributions, and distance information were
calculated to investigate the interfacial structural properties. The
dynamic process showed that the self-assembly of the reverse micelle
took 87 ns for the ternary system and 84 ns for the quaternary system
and remained stable until 100 ns. The formation of microemulsion was
proved directly, and the microstructure was briefly analyzed. Finally,
the possible structure of the scCO2 microemulsion containing
[Emim][Tf2N] and EtOH was inferred.