ABSTRACT

In this study, a mixture of N-methyl-2-pyrrolidinone (NMP) and ionic liquid (IL) was proposed as the entrainer for the separation of benzene and thiophene by extractive distillation. [EMIM]+[BF4] might be a suitable IL for investigating the selectivity and capacity together using the COSMO-RS model. The experimental vapor liquid equilibrium (VLE) results indicated that the addition of IL did not obviously improve the relative volatility of benzene to thiophene; however, the content of NMP in the vapor phase could be significantly reduced using the combination of NMP and [EMIM]+[BF4] in comparison to the benchmark solvent NMP. Moreover, the UNIFAC model was extended and the corresponding interaction parameters were obtained by correlating the ternary (benzene + thiophene + NMP) and quaternary (benzene + thiophene + NMP + [EMIM]+[BF4] ) VLE equilibrium data obtained in this work at ambient pressure.

Compounds

#	Formula	Name
1	C6H6	benzene
2	C4H4S	thiophene
3	C5H9NO	N-methylpyrrolidone

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1 2	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Closed cell (Static) method	11
POMD	1 2	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	11
POMD	1 2 3	Mole fraction - 2 ; Liquid Mole fraction - 2 ; Gas Mole fraction - 1 ; Gas	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Chromatography Chromatography Chromatography	21

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Separation of benzene and thiophene with a mixture of N-methyl-2- pyrrolidinone (NMP) and ionic liquid as the entrainer

Dai, C.[Chengna], Dong, Y.[Yichun], Han, J.[Jingli], Lei, Z.[Zhigang]

ABSTRACT