ABSTRACT

Activity coefficients at infinite dilution, vapor liquid equilibria (VLE) and excess enthalpies (HE) for different alkanes and alkenes with the ionic liquids 1-butyl-3-methylimidazolium trifluoromethanesulfonate [BMIM]+[OTF]-, 1-hexyl-3-methylimidazolium trifluoromethanesulfonate [HMIM]+[OTF]- and 1-octyl-3-methylimidazolium trifluoromethanesulfonate [OMIM]+[OTF]- have been measured. The new data were used to revise and extend the group interaction parameter matrix of modified UNIFAC (Dortmund).

Compounds

#	Formula	Name
1	C5H12	pentane
2	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
3	C6H14	hexane
4	C7H16	heptane
5	C8H18	octane
6	C5H10	1-pentene
7	C6H12	hex-1-ene
8	C7H14	1-heptene
9	C8H16	oct-1-ene
10	C10H20	1-decene
11	C8H18	2,2,4-trimethylpentane
12	C10H22	decane
13	C9H18	1-nonene
14	C11H19F3N2O3S	1-hexyl-3-methylimidazolium trifluoromethanesulfonate
15	C13H23F3N2O3S	1-octyl-3-methylimidazolium trifluoromethanesulfonate

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	14	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	9
POMD	15	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	13
POMD	1 2	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 1; Liquid	Liquid	Dilutor technique	3
POMD	3 2	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	Dilutor technique	4
POMD	3 2	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	Chromatography	4
POMD	3 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	13
POMD	3 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	6
POMD	4 2	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Dilutor technique	4
POMD	4 2	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Chromatography	4
POMD	4 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	25
POMD	5 2	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Dilutor technique	4
POMD	5 2	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	4
POMD	6 2	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Dilutor technique	3
POMD	6 2	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	4
POMD	7 2	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Dilutor technique	4
POMD	7 2	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Chromatography	4
POMD	7 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	13
POMD	7 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	10
POMD	8 2	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Dilutor technique	4
POMD	8 2	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	4
POMD	9 2	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Dilutor technique	4
POMD	9 2	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	4
POMD	10 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 10; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	7
POMD	3 14	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	dilutor technique	4
POMD	4 14	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	dilutor technique	4
POMD	5 14	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	dilutor technique	4
POMD	5 14	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	4
POMD	6 14	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	dilutor technique	4
POMD	7 14	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	dilutor technique	4
POMD	7 14	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Flow calorimetry	6
POMD	8 14	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	dilutor technique	4
POMD	8 14	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	4
POMD	9 14	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	dilutor technique	4
POMD	9 14	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	4
POMD	3 15	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	dilutor technique	3
POMD	4 15	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	dilutor technique	4
POMD	5 15	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	dilutor technique	4
POMD	8 15	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	dilutor technique	4
POMD	9 15	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	dilutor technique	4
POMD	9 15	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 9; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	11
POMD	7 15	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	dilutor technique	4
POMD	7 15	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 7; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	12
POMD	11 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 11; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	5
POMD	12 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 12; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	4
POMD	13 2	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 13; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	5
POMD	13 15	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 13; Liquid	Temperature, K; Liquid	Liquid Gas	Closed cell (Static) method	11
POMD	5 9 15	Mole fraction - 9 ; Gas	Mole fraction - 9; Liquid	Mole fraction - 15; Liquid Temperature, K; Liquid	Gas Liquid	Chromatography	11

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurements of different thermodynamic properties of systems containing ionic liquids and correlation of these properties using modified UNIFAC (Dortmund)

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

ABSTRACT