Aspen Plus supported conceptual design of the aromatic–aliphatic separation from low aromatic content naphtha using 4-methyl-N-butylpyridinium tetrafluoroborate ionic liquid

Enterprise Ionic Liquids Database (ILUAM) for Use in Aspen ONE Programs Suite with COSMO-Based Property Methods

“…The performance of COSMO-based/Aspen Plus (Aspen HYSYS) methodology to describe the thermodynamic behavior of multiphasic systems involving ILs and conventional chemical compounds has been evaluated in previous works 8,9,25,[30][31][32][33][34] . The obtained predictability of COSMObased/Aspen Plus (Aspen HYSYS) approach for phase equilibrium data of IL mixtures is illustrated in Table 5, including gas-liquid (GLE), vapor-liquid (VLE) and liquid-liquid (LLE) cases.…”

“…As can be seen, COSMO-based/Aspen Plus (Aspen HYSYS) approach predicts reasonablywithout using experimental data-the thermodynamic behavior of mixtures including ILs, describing as positive as negative deviations from ideality and also ideal behaviors. Even when the average error of predicted activity coefficient of ߛ ஶ at infinite dilution (Table 6) are larger than those error found for GLE, VLE and LLE data of real IL mixtures (Table 5) Page 17 of 22 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 optimization of the operating variables can be performed, attending to chemical or energy consumes or operating and capital costs 9,33 . As remarkable advantage, COSMO-based Aspen Plus/Aspen HYSYS calculations can manage with multicomponent mixtures since it is an a priori approach.…”

“…As remarkable advantage, COSMO-based Aspen Plus/Aspen HYSYS calculations can manage with multicomponent mixtures since it is an a priori approach. ILs were evaluated as separating phase in complex aromatic-aliphatic separation processes involving naphtha feed with realistic composition [32][33][34] or CO 2 capture processes for treating postcombustion fuel gas 9 . Even, it has been possible to evaluate the potential advantages of using mixtures of ILs as solvents by using current approach 25,32 .…”

“…This solution has been addressed by several research groups in different application fields and using rather dissimilar strategies 7,[12][13][14][15][16][17][18][19] . In particular, our group has been worked 20 in the integration of the molecular modeling and the process simulation via the COSMO-based 21,22 In the last five years, we have successfully applied COSMO-based/Aspen Plus (Aspen HYSYS) procedure to the design and analysis of new different processes using ILs: absorption of toluene in packed/tray columns 30 , absorption refrigeration cycles 31 , aromatic-aliphatic separation by liquidliquid extraction 25,32,33 , extractive distillation 34 and CO 2 capture by physical absorption 9 . In addition, the technical and economic impact of the solvent regeneration by distillation 8 in different processes was evaluated.…”

Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes

“…Remarkably, the solubility of n ‐heptane in zwitterion‐reach phase is also lower than in IL‐reach phase. This is an important factor, since the recovery of aliphatic compounds from extract stream is a difficult issue that determines the expense of the process and the quality of the aromatic products …”