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

Acetonitrile and Na+ or K+ Salts as Constituents of the Aqueous Two-Phase System: Equilibrium Data and Capsaicin Purification

Santos, P. L.[Poliane L.], Santos, L. N. S.[Lana N. S.], Souza, I. N.[Isabela N.], Souza, R. L.[Ranyere L.], Soares, C. M. F.[Cleide M. F.], Lima, A. S.[Alvaro S.]
J. Chem. Eng. Data 2019, 64, 9, 4132-4141
ABSTRACT
The pharmaceutical and food industries are interested in capsaicin due to its therapeutic and functional potential; however, it is necessary to develop an efficient protocol for extraction and purification of capsaicin from natural sources. Thus, this paper aims to study the partitioning and purification of capsaicin from Capsicum peppers using aqueous two-phase systems (ATPSs) based on Na+ or K+ salts. Initially, phase diagrams were determined, and the ease of phase formation of acetonitrile + different salts ATPS followed the reverse of Gibbs free energy of hydrations. Capsaicin migrated preferentially to the top phase (acetonitrile-rich phase) by an endothermic and spontaneous process governed by entropic forces. The best condition of separation (KCPS = 43.95 1.52; EECPS = 89.06 1.17 %; PFCPS = 2.65 0.01 fold) was found using acetonitrile (20 wt%) + K2CO3 (15 wt%) + water (65 wt%) at 318 K and 0.1 MPa. Keywords: capsaicin; aqueous two-phase systems; purification; acetonitrile, salts.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C6H5K3O7 potassium citrate
3 C6H5Na3O7 trisodium citrate
4 Na2O3S2 sodium thiosulfate
5 K3O4P tripotassium phosphate
6 HK2O4P dipotassium hydrogen phosphate
7 CK2O3 potassium carbonate
8 CNa2O3 sodium carbonate
9 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
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 30
  • POMD
  • 1
  • 2
  • 9
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 3
  • 9
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 3
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 34
  • POMD
  • 1
  • 4
  • 9
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 4
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 34
  • POMD
  • 1
  • 5
  • 9
  • Mass fraction - 5 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 5 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 5
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 24
  • POMD
  • 1
  • 6
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 1
  • 6
  • 9
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 7
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 1
  • 7
  • 9
  • Mass fraction - 7 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 10
  • POMD
  • 1
  • 8
  • 9
  • Mass fraction - 8 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 8 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 2
  • POMD
  • 1
  • 8
  • 9
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 8; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 32