Experimental
measurements for the vapor–liquid
equilibria
(VLE) of benzene + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
([EMIM][NTf2]), benzene + 1-ethyl-3-methylimidazolium ethylsulfate
([EMIM][EtSO4]), and benzene + mixed ionic liquids (ILs)
(equimolar [EMIM][NTf2] + [EMIM][EtSO4] mixture)
are performed. The non-random two liquid (NRTL) model binary interaction
parameters are then obtained by fitting the new VLE data and the liquid–liquid
equilibrium data previously reported. The interactions between chemical
species are analyzed using quantum chemical calculations and the COSMO-SAC
method, and it is found that the interactions between benzene and
ILs are strongly attractive. Taking as a reference the industrial
process that uses sulfolane as the entrainer, several novel industrial
processes are proposed, which involve either pure ionic liquids [EMIM][NTf2] and [EMIM][EtSO4] or their mixtures as the extractant
for separating aromatic hydrocarbons (benzene) and paraffins (n-hexane). The optimal operating parameters, such as the
number of theoretical stages, the extractant-to-hydrocarbon feed ratio,
the reflux ratio, and the feed stage, are determined for the different
processes. Steady-state process simulations are performed to evaluate
the total annual cost (TAC) and the environmental impact (carbon dioxide
emissions). It is shown that significant savings in energy consumption
(reduction of 19.6–48.7%), TAC (reduction of 6.3–27.1%),
and CO2 emissions (reduction of 17.8–47.6%) can
be achieved for the processes that use IL extractants, compared to
the process based on sulfolane extractant. The proposed IL extractant
and the corresponding process are promising alternatives to conventional
solvents and processes for aromatic extraction.