ABSTRACT

Vapor liquid equilibria at 363.15 K, and excess enthalpies in the temperature range 363.15 413.15K of binary systems containing the ionic liquids 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl) imide [BMPYR]+[BTI]-, 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide [HMPYR]+[BTI]-, and 1-octyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide [OMPYR]+ [BTI]-, have been measured. The experimental data were used for fitting the group interaction parameters between the pyrrolidinium cation and the main groups ACH and ACCH2. The experimental results are compared with the predictions of modified UNIFAC (Dortmund). Furthermore the current state of modified UNIFAC matrix for ionic liquids, typical results, and the application for process development will be presented.

Compounds

#	Formula	Name
1	C11H20F6N2O4S2	1-butyl-1-methylpyrrolidinium bis[(trifluoromethyl)sulfonyl]imide
2	C13H24F6N2O4S2	1-hexyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide
3	C15H28F6N2O4S2	1-methyl-1-octylpyrrolidinium bis(trifluoromethylsulfonyl)amide
4	C6H6	benzene
5	C7H8	toluene

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	4 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	15
POMD	4 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	14
POMD	5 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	14
POMD	5 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	14
POMD	4 3	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	16
POMD	5 3	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	15
POMD	4 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	12
POMD	5 1	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	14

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Prediction of phase equilibria and excess properties for systems with ionic liquids using modified UNIFAC: Typical results and present status of the modified UNIFAC matrix for ionic liquids

Nebig, S.[Silke], Gmehling, J.[Jurgen]

ABSTRACT