.png){kind=icon}
.png){kind=icon}
Return
Liquid-liquid equilibria and process simulation of thiophene and n-paraffins with imidazolium-based [NTf2] ionic liquids
.png){kind=icon}
PRE
AI
M
A
A
K
A
DOI：10.1016/j.jil.2026.100205.png)
.png){kind=icon}
Original request for help.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
New liquid-liquid equilibrium (LLE) data are presented for ternary systems relevant to extractive desulfurization, comprising thiophene, long-chain n-alkanes (n-dodecane, n-tetradecane, and n-hexadecane), and a homologous series of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids, [Cnmim][NTf2]. Phase equilibria were measured at 313.15 K and atmospheric pressure to systematically assess the coupled influence of ionic-liquid cation alkyl-chain length and paraffinic hydrocarbon chain length on phase behavior and sulfur partitioning. Extraction performance was quantified in terms of distribution coefficients and selectivity, revealing a pronounced and tunable affinity of thiophene for the ionic-liquid-rich phase. Distribution coefficients ranging from 1.88 to 2.92 and selectivity values between 49 and 177 were obtained, depending on cation structure, indicating clear structure-property relationships within the [Cnmim][NTf2] family. The complete LLE datasets were successfully correlated using the Non-Random Two-Liquid (NRTL) activity-coefficient model, yielding thermodynamically consistent binary interaction parameters with low root-mean-square deviations. The resulting ternary phase diagrams provide quantitative insight into the non-ideal interactions governing the selective solvation of aromatic sulfur compounds in [NTf2](-)-based ionic liquids. Overall, this work establishes benchmark thermodynamic data and molecular-level structure-property relationships linking ionic-liquid structure to extraction behavior. Process simulations indicate that a three-stage extractor employing [C(8)mim][NTf2] can achieve ultra-low-sulfur fuel (sulfur <10 ppm) at solvent-to-feed ratios above 1.3, while maintaining moderate and industrially feasible regeneration energy requirements.
Keywords:
Imidazolium-based ionic liquids
[NTf2](-) anion
Liquid-liquid equilibrium
Phase behavior
Structure-property relationships
NRTL model
Journal
J
IF:
0
Papers:
18
Citations:
0
Organization
Cited Papers