ABSTRACT

The activity coefficient at infinite dilution (gamma13) for 30 solutes: alkanes, alkenes, cycloalkanes, alkynes, ketones, alcohols, and aromatic compounds was determined from gas liquid chromatography (glc) measurements at three temperatures (303.15, 313.15, and 323.15) K. The ionic liquid: trioctylmethylammonium bis(trifluoromethylsulfonyl)imide, was used as the stationary phase. For each temperature, gamma13 values were determined using two columns with different mass percent packing of the ionic liquid. The selectivity S12 value was calculated from the gamma to determine the suitability of the solvent as a potential entrainer for extractive distillation in the separation of an hexane/benzene mixture, indicative of a typical industrial separation problem for benchmarking purposes.

Compounds

#	Formula	Name
1	C5H12	pentane
2	C6H14	hexane
3	C7H16	heptane
4	C8H18	octane
5	C9H20	nonane
6	C10H22	decane
7	C5H10	1-pentene
8	C6H12	hex-1-ene
9	C7H14	1-heptene
10	C8H16	oct-1-ene
11	C9H18	1-nonene
12	C10H20	1-decene
13	C5H8	1-pentyne
14	C6H10	1-hexyne
15	C8H14	1-octyne
16	C9H16	1-nonyne
17	C10H18	1-decyne
18	C5H10	cyclopentane
19	C6H12	cyclohexane
20	C7H14	cycloheptane
21	C8H16	cyclooctane
22	C9H18	cyclononane
23	CH4O	methanol
24	C2H6O	ethanol
25	C3H8O	propan-1-ol
26	C6H6	benzene
27	C7H8	toluene
28	C3H6O	acetone
29	C4H8O	butanone
30	C27H54F6N2O4S2	methyltrioctylammonium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
31	C7H12	1-heptyne

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 30	Activity coefficient - 1 ; Liquid	Temperature, K; Liquid	Mole fraction - 1; Liquid	Liquid Gas	Chromatography	6
POMD	2 30	Activity coefficient - 2 ; Liquid	Temperature, K; Liquid	Mole fraction - 2; Liquid	Liquid Gas	Chromatography	6
POMD	3 30	Activity coefficient - 3 ; Liquid	Temperature, K; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Chromatography	6
POMD	4 30	Activity coefficient - 4 ; Liquid	Temperature, K; Liquid	Mole fraction - 4; Liquid	Liquid Gas	Chromatography	6
POMD	5 30	Activity coefficient - 5 ; Liquid	Temperature, K; Liquid	Mole fraction - 5; Liquid	Liquid Gas	Chromatography	6
POMD	6 30	Activity coefficient - 6 ; Liquid	Temperature, K; Liquid	Mole fraction - 6; Liquid	Liquid Gas	Chromatography	6
POMD	7 30	Activity coefficient - 7 ; Liquid	Temperature, K; Liquid	Mole fraction - 7; Liquid	Liquid Gas	Chromatography	6
POMD	8 30	Activity coefficient - 8 ; Liquid	Temperature, K; Liquid	Mole fraction - 8; Liquid	Liquid Gas	Chromatography	6
POMD	9 30	Activity coefficient - 9 ; Liquid	Temperature, K; Liquid	Mole fraction - 9; Liquid	Liquid Gas	Chromatography	6
POMD	10 30	Activity coefficient - 10 ; Liquid	Temperature, K; Liquid	Mole fraction - 10; Liquid	Liquid Gas	Chromatography	6
POMD	11 30	Activity coefficient - 11 ; Liquid	Temperature, K; Liquid	Mole fraction - 11; Liquid	Liquid Gas	Chromatography	6
POMD	12 30	Activity coefficient - 12 ; Liquid	Temperature, K; Liquid	Mole fraction - 12; Liquid	Liquid Gas	Chromatography	6
POMD	13 30	Activity coefficient - 13 ; Liquid	Temperature, K; Liquid	Mole fraction - 13; Liquid	Liquid Gas	Chromatography	6
POMD	14 30	Activity coefficient - 14 ; Liquid	Temperature, K; Liquid	Mole fraction - 14; Liquid	Liquid Gas	Chromatography	6
POMD	15 30	Activity coefficient - 15 ; Liquid	Temperature, K; Liquid	Mole fraction - 15; Liquid	Liquid Gas	Chromatography	6
POMD	16 30	Activity coefficient - 16 ; Liquid	Temperature, K; Liquid	Mole fraction - 16; Liquid	Liquid Gas	Chromatography	6
POMD	17 30	Activity coefficient - 17 ; Liquid	Temperature, K; Liquid	Mole fraction - 17; Liquid	Liquid Gas	Chromatography	6
POMD	18 30	Activity coefficient - 18 ; Liquid	Temperature, K; Liquid	Mole fraction - 18; Liquid	Liquid Gas	Chromatography	6
POMD	19 30	Activity coefficient - 19 ; Liquid	Temperature, K; Liquid	Mole fraction - 19; Liquid	Liquid Gas	Chromatography	6
POMD	20 30	Activity coefficient - 20 ; Liquid	Temperature, K; Liquid	Mole fraction - 20; Liquid	Liquid Gas	Chromatography	6
POMD	21 30	Activity coefficient - 21 ; Liquid	Temperature, K; Liquid	Mole fraction - 21; Liquid	Liquid Gas	Chromatography	6
POMD	22 30	Activity coefficient - 22 ; Liquid	Temperature, K; Liquid	Mole fraction - 22; Liquid	Liquid Gas	Chromatography	6
POMD	23 30	Activity coefficient - 23 ; Liquid	Temperature, K; Liquid	Mole fraction - 23; Liquid	Liquid Gas	Chromatography	6
POMD	24 30	Activity coefficient - 24 ; Liquid	Temperature, K; Liquid	Mole fraction - 24; Liquid	Liquid Gas	Chromatography	6
POMD	25 30	Activity coefficient - 25 ; Liquid	Temperature, K; Liquid	Mole fraction - 25; Liquid	Liquid Gas	Chromatography	6
POMD	26 30	Activity coefficient - 26 ; Liquid	Temperature, K; Liquid	Mole fraction - 26; Liquid	Liquid Gas	Chromatography	6
POMD	27 30	Activity coefficient - 27 ; Liquid	Temperature, K; Liquid	Mole fraction - 27; Liquid	Liquid Gas	Chromatography	6
POMD	28 30	Activity coefficient - 28 ; Liquid	Temperature, K; Liquid	Mole fraction - 28; Liquid	Liquid Gas	Chromatography	6
POMD	29 30	Activity coefficient - 29 ; Liquid	Temperature, K; Liquid	Mole fraction - 29; Liquid	Liquid Gas	Chromatography	6
POMD	31 30	Activity coefficient - 31 ; Liquid	Temperature, K; Liquid	Mole fraction - 31; Liquid	Liquid Gas	Chromatography	6

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Activity coefficients at infinite dilution for solutes in the trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid using gas liquid chromatography

Gwala, N. V. V.[Nobuhle V.], Deenadayalu, N.[Nirmala], Tumba, K.[Kaniki], Ramjugernath, D.[Deresh]

ABSTRACT