ABSTRACT

Liquid-liquid equilibrium (LLE) data for {water + 5-hydroxymethylfurfural (HMF) + 1-pentanol/1-hexanol/1-heptanol} ternary systems was measured at 298.15 K and 0.1 MPa. The solute selectivity and the capacity of alcohols were evaluated and the results showed that 1-pentanol has better performance than 1-hexanol and 1-heptanol for HMF recovery from aqueous solutions. The NRTL and UNIQUAC models were used to correlate the liquid-liquid experimental values and the binary interaction parameters obtained were thermodynamically consistent. The root-mean-square deviations (RMSD) between the experimental data measured and the calculated by the NRTL and UNIQUAC models were less than 0.69% for all systems.

Compounds

#	Formula	Name
1	H2O	water
2	C6H6O3	5-(hydroxymethyl)furan-2-carbaldehyde
3	C5H12O	pentan-1-ol
4	C6H14O	hexan-1-ol
5	C7H16O	heptan-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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1 2 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	16
POMD	1 2 3	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	16
POMD	1 2 3	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method Titration method Titration method	5
POMD	1 2 4	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	16
POMD	1 2 4	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	16
POMD	1 2 4	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method Titration method Titration method	5
POMD	1 2 5	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid Mass fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	18
POMD	1 2 5	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	18
POMD	1 2 5	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Titration method Titration method Titration method	6
POMD	1 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	1 3	Mass fraction - 1 ; Liquid mixture 1		Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	1 4	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	1 4	Mass fraction - 1 ; Liquid mixture 1		Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	1 5	Refractive index (Na D-line) ; Liquid	Mass fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	2
POMD	1 5	Mass fraction - 1 ; Liquid mixture 1		Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibrium for (water + 5-hydroxymethylfurfural + 1-pentanol/1-hexanol/1-heptanol) systems at 298.15 K

Cavalcanti, Kyriale V.M., Follegatti-Romero, Luz M., Dalmolin, Irede, Follegatti-Romero, Luis A.

ABSTRACT