ABSTRACT

Liquid liquid equilibrium data in binary systems ?-valerolactone + hydrocarbon (n-heptane, n-decane, n-dodecane, cyclohexane, and 2,4,4-trimethyl-1-penetene) were determined by direct analytical and cloud-point methods. The experimental data were smoothed by the extended scaling law equation which respects nonclassical behavior of fluid mixtures in critical loci. The nonrandom two-liquid equation s parameters were evaluated from the data obtained, as well. Since the molecule of ?-valerolactone retains a quite high dipole moment, the acquired experimental data on liquid liquid equilibrium were used for the testing of predictive capabilities of the perturbed-chain polar SAFT equation of state (PCP-SAFT) in comparison to the original PC-SAFT model. Vapor pressures of ?-valerolactone in the temperature range from 264 K to 313 K and its liquid densities at temperatures from 288 K to 363 K were measured and utilized for evaluation of the PCP-SAFT and PC-SAFT parameters. It was found that prediction of liquid liquid equilibrium performed by the polar PCP-SAFT equation with pure component parameters can be classified as relatively successful.

Compounds

#	Formula	Name
1	C5H8O2	.gamma.-valerolactone
2	C7H16	heptane
3	C10H22	decane
4	C12H26	dodecane
5	C6H12	cyclohexane
6	C8H16	2,4,4-trimethyl-1-pentene

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	16
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	11
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1 2	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:8	8
POMD	1 2	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:8	8
POMD	1 2	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	3
POMD	1 2	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method	3
POMD	1 3	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:8	9
POMD	1 3	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:8	9
POMD	1 4	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:8	9
POMD	1 4	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:8	9
POMD	1 5	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:8	6
POMD	1 5	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:4	6
POMD	1 5	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method	3
POMD	1 5	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	6 1	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:8	8
POMD	6 1	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	CHROM:UFactor:4	8
POMD	6 1	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method	3
POMD	6 1	Mole fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Binary Liquid Liquid Equilibria of ?-Valerolactone with Some Hydrocarbons

Klajmon, M.[Martin], Rehak, K.[Karel], Moravek, P.[Pavel], Matousova, M.[Maja]

ABSTRACT