ABSTRACT

The activity coefficients at infinite dilution for various solutes: alkanes, cycloalkanes, 1-alkenes, 1-alkynes, benzene, alkylbenzenes, and alcohols in the ionic liquids 1-butyl-3-methylimidazolium bis(oxalato)borate [BMIM][BOB] and 1-hexyl-3-methyl-imidazolium bis(oxalato)borate [HMIM][BOB] have been determined by gas-liquid chromatography at the temperatures ranging from 308 to 348 K. The partial molar excess enthalpies at infinite dilution of the solutes in the ionic liquids were also derived from the temperature dependence of the activity coefficients at infinite dilution values. The selectivities for the hexane/benzene, cyclohexane/benzene and hexane/hexene separation problems were calculated from experimental infinite dilution activity coefficient values and compared to the other ionic liquids, taken from the recent literatures.

Compounds

#	Formula	Name
1	C12H15BN2O8	1-butyl-3-methylimidazolium bis(oxalato)borate
2	C14H19BN2O8	1-hexyl-3-methylimidazolium bis(oxalato)borate
3	C5H12	pentane
4	C6H14	hexane
5	C7H16	heptane
6	C8H18	octane
7	C9H20	nonane
8	C6H12	cyclohexane
9	C7H14	methylcyclohexane
10	C6H12	hex-1-ene
11	C8H16	oct-1-ene
12	C10H20	1-decene
13	C5H8	1-pentyne
14	C6H10	1-hexyne
15	C7H12	1-heptyne
16	C8H14	1-octyne
17	C6H6	benzene
18	C7H8	toluene
19	C8H10	ethylbenzene
20	C8H10	1,2-dimethylbenzene
21	C8H10	1,3-dimethylbenzene
22	C8H10	1,4-dimethylbenzene
23	CH4O	methanol
24	C2H6O	ethanol
25	C3H8O	propan-1-ol

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	3 1	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	Chromatography	5
POMD	4 1	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Chromatography	5
POMD	5 1	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	5
POMD	6 1	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	5
POMD	7 1	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Chromatography	5
POMD	8 1	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	5
POMD	9 1	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	5
POMD	10 1	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	5
POMD	11 1	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	5
POMD	12 1	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 12; Liquid	Liquid	Chromatography	5
POMD	13 1	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 13; Liquid	Liquid	Chromatography	5
POMD	14 1	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	5
POMD	15 1	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	5
POMD	16 1	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	5
POMD	17 1	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	5
POMD	18 1	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 18; Liquid	Liquid	Chromatography	5
POMD	19 1	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 19; Liquid	Liquid	Chromatography	5
POMD	20 1	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	5
POMD	21 1	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	5
POMD	22 1	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 22; Liquid	Liquid	Chromatography	5
POMD	23 1	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	5
POMD	24 1	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	5
POMD	25 1	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	5
POMD	3 2	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 3; Liquid	Liquid	Chromatography	5
POMD	4 2	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 4; Liquid	Liquid	Chromatography	5
POMD	5 2	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 5; Liquid	Liquid	Chromatography	5
POMD	6 2	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 6; Liquid	Liquid	Chromatography	5
POMD	7 2	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 7; Liquid	Liquid	Chromatography	5
POMD	8 2	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 8; Liquid	Liquid	Chromatography	5
POMD	9 2	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 9; Liquid	Liquid	Chromatography	5
POMD	10 2	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 10; Liquid	Liquid	Chromatography	5
POMD	11 2	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 11; Liquid	Liquid	Chromatography	5
POMD	12 2	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 12; Liquid	Liquid	Chromatography	5
POMD	13 2	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 13; Liquid	Liquid	Chromatography	5
POMD	14 2	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 14; Liquid	Liquid	Chromatography	5
POMD	15 2	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 15; Liquid	Liquid	Chromatography	5
POMD	16 2	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 16; Liquid	Liquid	Chromatography	5
POMD	17 2	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 17; Liquid	Liquid	Chromatography	5
POMD	18 2	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 18; Liquid	Liquid	Chromatography	5
POMD	19 2	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 19; Liquid	Liquid	Chromatography	5
POMD	20 2	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 20; Liquid	Liquid	Chromatography	5
POMD	21 2	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 21; Liquid	Liquid	Chromatography	5
POMD	22 2	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 22; Liquid	Liquid	Chromatography	5
POMD	23 2	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 23; Liquid	Liquid	Chromatography	5
POMD	24 2	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 24; Liquid	Liquid	Chromatography	5
POMD	25 2	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Mole fraction - 25; Liquid	Liquid	Chromatography	5

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Gas-liquid chromatography measurements of activity coefficients at infinite dilution of hydrocarbons and alkanols in 1-alkyl-3-methylimidazolium bis(oxalato)borate

Yan, P.-F.[Pei-Fang], Yang, M., Li, C.-P.[Chang-Ping], Liu, X.-M.[Xiu-Mei], Tan, Z.-C.[Zhi-Cheng], Welz-Biermann, U.[Urs]

ABSTRACT