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Systematic Method for Screening Ionic Liquids as Extraction Solvents Exemplified by an Extractive Desulfurization Process
journal contribution
posted on 2017-02-17, 00:00 authored by Zhen Song, Teng Zhou, Zhiwen Qi, Kai SundmacherFor the selection
of industrially suitable ionic liquids (ILs)
as extraction solvents, a systematic method combining phase equilibrium
calculation, physical property prediction, and process simulation
is presented. The conductor-like screening model for real solvents
is used to predict the liquid–liquid equilibria of the systems
composed of the target mixture to be separated and different ILs at
the specific global composition of interest, thereby prescreening
ILs with higher mass-based distribution coefficient and selectivity
as well as lower solvent loss. Group contribution methods are then
employed to estimate the key physical properties of the prescreened
ILs and further suggest candidates meeting certain physical property
constraints. Afterward, the performance of the top IL candidates in
a continuous process is analyzed by Aspen Plus to identify finally
process-based optimal solvents. The proposed method is illustrated
with an extractive desulfurization case study and two most promising
ILs for this process are consequently determined.
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Systematic Methodproperty predictioncandidates meetingextraction solventsprocess simulationtarget mixtureprescreening ILsproperty constraintsextractive desulfurization case studyExtraction Solvents Exemplifiedgroup contribution methodsconductor-like screening modelExtractive Desulfurization Processprescreened ILsmass-based distribution coefficientIL candidatesphase equilibrium calculationAspen Plus
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