Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ternary phase diagram and the formation mechanism of two distinct solid solutions of amino acid systems: L-Valine/L-norvaline and L-valine/L-alanine

Yang, Yaoyao, Zhang, Huihui, Du, Shichao, Chen, Mingyang, Xu, Shijie, Jia, Lina, Gong, Junbo
J. Chem. Thermodyn. 2018, 119, 34-43
ABSTRACT
The ternary phase diagram of L-valine (L-Val)/L-norvaline (L-Nva)/water system was determined at 293.15 K, in which the tie lines clearly indicate the formation of complete solid solution and X-ray powder diffraction (XRPD) analysis of the solid phases further confirms complete miscibility of L-Val and L-Nva molecules in the solid state. Further, homogeneous solid solution can be obtained via mechanochemical method of non-solution system and via anti-solvent method. Similar composition analysis of solid and liquid phase suggests that L-Val and L-alanine (L-Ala) is partially miscible with only a narrow scope of component substitution. The similarity degree of the three amino acids in cell dimensions and supramolecular organization determines the miscibility of L-Val and L-Nva or L-Val and L-Ala, and the investigation in molecular incorporation of L-Val/L-Nva system was developed. Applying the experimental solid-liquid equilibrium data, fractional crystallization is verified as an effective purification method.
Compounds
# Formula Name
1 C5H11NO2 L-valine
2 C5H11NO2 (S)-2-aminopentanoic acid
3 C3H7NO2 (S)-2-aminopropanoic acid
4 H2O water
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
  • 2
  • 4
  • Mass fraction - 2 ; Liquid
  • Mass fraction - 2 ; Crystal
  • Mass fraction - 1 ; Crystal
  • Mass fraction - 1; Liquid
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Liquid
  • Crystal
  • Chromatography
  • Chromatography
  • Chromatography
  • 10
  • POMD
  • 1
  • 3
  • 4
  • Mass fraction - 3 ; Liquid
  • Mass fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 3
  • POMD
  • 1
  • 3
  • 4
  • Mass fraction - 1 ; Liquid
  • Mass fraction - 1 ; Crystal
  • Mass fraction - 3 ; Crystal
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal
  • Chromatography
  • Chromatography
  • Chromatography
  • 8
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 3
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 2
  • POMD
  • 2
  • 4
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • gravimetric method
  • 1
  • POMD
  • 3
  • 4
  • Mass fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • gravimetric method
  • 1