Liquid–liquid equilibrium (LLE) data for ternary mixtures of {aliphatic+p-xylene+[EMpy][ESO4]} at T=313.15K

“…The number of ILs whose LLE with aromatic/aliphatic mixtures has been measured experimentally is quite large, as is evident from the Ferreira et al review and the numerous experimental studies − that have appeared since. A complete list of all IL cations and anions considered in this study appears in Tables S3 and S4.…”

Section: Methodsmentioning

confidence: 99%

“…Updated settings for these COSMO-RS parameters are made available periodically. Will the use of updated COSMO-RS parameter settings influence the trends observed by Ferreira et al? To address this issue, we repeat the COSMO-RS modeling for the systems studied by Ferreira et al using the latest COSMO-RS parameter settings. Many more aromatic/aliphatic/IL systems − have been studied experimentally since the Ferreira et al review appeared. How capable is COSMO-RS in predicting LLE for these new systems?…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Review of Recent Aromatic–Aliphatic–Ionic Liquid Ternary Liquid–Liquid Equilibria and Their Modeling by COSMO-RS

Lyu

Brennecke

Stadtherr

2020

Ind. Eng. Chem. Res.

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Separation of aromatics from aliphatics following catalytic reforming or steam cracking processes is difficult and energy intensive, even with highly optimized extraction solvents like sulfolane. As a result, ionic liquids (ILs) have been studied extensively for this application. Here we review the new liquid−liquid equilibrium (LLE) data that have appeared in the literature for aromatic/aliphatic/IL systems since 2012, when the last comprehensive review appeared. We model recent systems with the conductor-like screening model for real solvents (COSMO-RS) and discuss the ability of this model to predict trends in the aromatic selectivity (S) and aromatic distribution ratio (D). With some exceptions, COSMO-RS provides good performance in predicting trends in S and D with respect to changes in aliphatic, aromatic, IL cation and IL anion. However, COSMO-RS predictions generally do not show quantitative agreement with experimental data for aromatic/aliphatic/IL LLE. Previously known trends for increasing length of alkyl chains on the IL cation or anion, aliphatic length, alkyl chains on the aromatic, and cyclization were confirmed by both the new data and modeling. The new data with different anions show that D and S do not correlate with the anion solvatochromic basicity parameter, β, as suggested previously. Rather, ILs with anions that have greater polarity or polarizability have higher S, whereas less-coordinating anions have greater capacity for the aromatic (higher D). Of all the trends, COSMO-RS has the greatest difficulty in predicting the effect of changing anion, and this is not limited to anions that interact more strongly with the cation. For new systems with mixed alkanes, one would expect S and D to vary between the values of the pure alkanes, as confirmed by the COSMO-RS predictions. On the basis of limited new mixed IL data, it appears that COSMO-RS may not be able to predict this effect well. Nonetheless, COSMO-RS is shown to be a useful tool in predicting many qualitative trends in S and D for the extraction of aromatics from aliphatics for pure IL systems.

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“…In this regard, 340 experimental data sets were collected and used in developing of the models, helping to propose models with comprehensive application [4,[19][20][21][22][23][24][25][26][27][28][29][30][31]. The high quantity of experimental data sets ensured the comprehensive application of the designed models.…”

Section: Introductionmentioning

confidence: 99%

Prediction of liquid–liquid equilibrium behavior for aliphatic+aromatic+ionic liquid using two different neural network-based models

Hakim

Behmardikalantari

Najafabadi

et al. 2015

Fluid Phase Equilibria

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Liquid–liquid equilibrium (LLE) data for ternary mixtures of {aliphatic+p-xylene+[EMpy][ESO4]} at T=313.15K

Cited by 14 publications

References 33 publications

Removal of aromatic hydrocarbons from hydrocarbon mixture using glycols at 303.15 K and 333.15 K and atmospheric pressure: Experimental and calculated data by NRTL and UNIQUAC models

Removal of aromatic hydrocarbons from hydrocarbon mixture using glycols at 303.15 K and 333.15 K and atmospheric pressure: Experimental and calculated data by NRTL and UNIQUAC models

Review of Recent Aromatic–Aliphatic–Ionic Liquid Ternary Liquid–Liquid Equilibria and Their Modeling by COSMO-RS

Prediction of liquid–liquid equilibrium behavior for aliphatic+aromatic+ionic liquid using two different neural network-based models

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