ABSTRACT

(Solid + liquid) equilibria of binary mixtures containing high-value compounds and ethyl lactate were studied. Using the gravimetric method, the solubility of various solutes such as caffeine, vanillic acid, ferulic acid, caffeic acid and thymol in ethyl lactate was measured as a function of temperature over the range of (298.2 to 343.2) K, at atmospheric pressure. The differences in solubility of a given solute in water-saturated and dry ethyl lactate were observed. The deviation of these binary systems from ideal mixture behaviour was discussed. In order to understand the solubilization process, melting properties of pure solutes were determined by differential scanning calorimetry (DSC). The solubility data obtained were represented using UNIQUAC and UNIFAC-based models as well as with the Cubic-Plus-Association (CPA) equation of state. The results of the modeling indicate that these models are the appropriate tools for representing the solubility behaviour of various solutes in ethyl lactate.

Compounds

#	Formula	Name
1	C5H10O3	(S)-(-)-ethyl lactate
2	H2O	water
3	C9H8O4	caffeic acid
4	C10H14O	3-methyl-6-isopropylphenol
5	C8H10N4O2	caffeine
6	C8H8O4	4-hydroxy-3-methoxybenzoic acid
7	C10H10O4	4-hydroxy-3-methoxycinnamic acid

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	4	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	5	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Differential scanning calorimeter	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Differential scanning calorimeter	1
POMD	6	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	6	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	7	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	7	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4 1 2	Mole fraction - 4 ; Liquid	Solvent: Mass fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Synthetic Method	15
POMD	5 1 2	Mole fraction - 5 ; Liquid	Solvent: Mass fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Synthetic Method	9
POMD	6 1 2	Mole fraction - 6 ; Liquid	Solvent: Mass fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 6	Synthetic Method	9
POMD	3 1 2	Mole fraction - 3 ; Liquid	Solvent: Mass fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	Synthetic Method	9
POMD	1 7 2	Mole fraction - 1 ; Liquid	Solvent: Mass fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Synthetic Method	9

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of high-value compounds in ethyl lactate: Measurements and modelling

Manic, M. S.[Marina S.], Villanueva, D.[David], Fornari, T.[Tiziana], Queimada, A. J.[Antonio J.], Macedo, E. A.[Eugenia A.], Najdanovic-Visak, V.[Vesna]

ABSTRACT