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Modeling VLE and LLE of Deep Eutectic Solvents (DES) and Ionic Liquids (IL) Using PC-SAFT Equation of State. Part II
  • Ali Aminian
Ali Aminian
Institute of Thermomechanics Czech Academy of Sciences

Corresponding Author:[email protected]

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This study aims to use Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) to describe the phase behavior of systems containing DESs and ILs. The DESs are based on Tetrabutylammonium chloride ([N4444]Cl) and Tetrabutylammonium bromide (TBAB) as hydrogen bond acceptors, and levulinic acid (LevA) and Diethylene Glycol (DEG) as hydrogen bond donors in the mole ratio of 1:2 and 1:4, respectively. The predicted phase equilibrium data from PC-SAFT has been compared to those from COSMO-RS and NRTL predictions. ILs studied in this work are low viscosity ether-functionalized pyridinium-based ILs [EnPy][NTf2] and [CmPy][NTf2], while 1-(2-methoxyethyl)-1-methylpyrrolidiniumbis(trifluoromethylsulfonyl)-amide) ([COC2mPYR][NTf2]) and 1-propyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide ([Pmim][NTf2]) were used for the study of the LLE systems with n-heptane + thiophene and n-hexane + ethylbenzene, respectively. In the last part, mixtures of linear alkanes and perfluoroalkanes have been studied to predict the phase behavior of perfluoroalkylalkanes with their linear alkane counterparts and comparisons have been made against SAFT-Mie pair potential.
20 Nov 2021Submitted to AIChE Journal
27 Nov 2021Submission Checks Completed
27 Nov 2021Assigned to Editor
22 Dec 2021Reviewer(s) Assigned
11 Mar 2022Editorial Decision: Revise Major
19 Apr 20221st Revision Received
19 Apr 2022Submission Checks Completed
19 Apr 2022Assigned to Editor
02 May 2022Reviewer(s) Assigned
16 May 2022Editorial Decision: Accept