ABSTRACT

Phase equilibria of the systems (water + pyruvic acid + high boiling alcohol) have been determined at T = 298.2 K. Among the heavy alcohol solvents studied, 1-decanol gives the largest distribution ratio and separation factors for extraction of pyruvic acid. The distribution data of pyruvic acid are used to establish the basis for an analytical structure to provide optimum extraction. Some aspects of selection of an appropriate criterion for designing optimum extraction of acid are discussed. The solvation energy relation (SERLAS) with 5- and 10-parameters has been performed to correlate the (liquid + liquid) equilibria (LLE) of associated systems containing a protic alcohol solvent capable of hydrogen bonding. The extraction equilibria were also predicted through the UNIFAC-original model. The reliability of both models has been analyzed against the LLE data with respect to the distribution ratio and separation factor.

Compounds

#	Formula	Name
1	H2O	water
2	C3H4O3	2-oxopropanoic acid
3	C6H12O	cyclohexanol
4	C10H22O	decan-1-ol
5	C8H10O	1-phenylethanol

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 2 1	Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Phase equilibration Phase equilibration Phase equilibration	7
POMD	4 2 1	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Phase equilibration Phase equilibration Phase equilibration	7
POMD	5 2 1	Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Phase equilibration Phase equilibration Phase equilibration	7

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria of ternary systems (water + pyruvic acid + high boiling alcohol). Thermodynamic modeling and optimization of extraction

Senol, A.[Aynur], Bashoglu, B.[Burcu]

ABSTRACT