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

Effect of Diluents on Extraction Equilibrium of trans-Aconitic Acid

Nimmakayala, R.[Rajesh], Pal, D.[Dharm]
J. Chem. Eng. Data 2019, 64, 7, 2985-2996
ABSTRACT
Trans-aconitic acid (TAA) is an unsaturated tricarboxylic acid often found in natural sources like cane molasses, beet roots etc. Due to potential application as plasticizers, biodegradable polyesters for tissue engineering, acidulants in food processing, wetting agents in surfactants and as drugs in neuro medical therapies, its production has got researcher's attention. Fermentation is the promising and green route for the continuous production of TAA that could meet industrial demand. However, separation of biotechnologically produced TAA from fermentation media is a challenging task. In this work, the effect of diluents on liquidliquid extraction of TAA was investigated using six diluents of varied chemical nature, alcohols (lauryl alcohol & benzyl alcohol), ketones (cyclohexanone & MIBK) & inactive hydrocarbons (benzene & heptanes) with tri-n-butyl phosphate (TBP). The reactive extraction equilibrium was analysed using parameters such as distribution coefficient (KD), loading ratio (Z greater than1) and of extraction efficiency (E).The obtained KD values lies in the ranges 0.001 - 9.483, whereas, maximum extraction achieved was 90.46% in MIBK with TBP 50% (v/v).In addition, it was also observed that physiochemical parameters of diluents like dielectric constant (K), dipole moment () and Dimorth-Riechardt empirical parameter (T), has significant effect on extraction efficiency.
Compounds
# Formula Name
1 C6H6O6 trans-1-propene-1,2,3-tricarboxylic acid
2 C7H16 heptane
3 C6H6 benzene
4 C12H26O dodecan-1-ol
5 C7H8O benzenemethanol
6 C6H10O cyclohexanone
7 C6H12O 4-methylpentan-2-one
8 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
  • 6
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4
  • POMD
  • 1
  • 7
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4
  • POMD
  • 1
  • 4
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4
  • POMD
  • 1
  • 5
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4
  • POMD
  • 1
  • 3
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4
  • POMD
  • 1
  • 2
  • 8
  • Molality, mol/kg - 1 ; Liquid mixture 1
  • Molality, mol/kg - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • titration
  • 4