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

Experimental Study on Reactive Extraction of Malonic Acid with Validation by Fourier Transform Infrared Spectroscopy

Dhongde, Vicky R., De, Biswajit S., Wasewar, Kailas L.
J. Chem. Eng. Data 2019, 64, 3, 1072-1084
ABSTRACT
Malonic acid is an essential carboxylic acid which is used as a back-bone reactant in deriving multiple higher order carboxylic compounds. The successful attempt of producing malonic acid from biological route attracted the scientific community to extract malonic acid from the fermentation broth or dilute aqueous stream. The experimental study on the recovery of malonic acid by reactive extraction was performed and the effect of TBP concentration, diluents (alkane, ketone, and alcohol) and malonic acid concentration were investigated. The equilibrium models (relative basicity and mass action law model) and the number of theoretical units (NTU) were also evaluated. The FT-IR spectroscopy provided evidence for the formation of significant bonds between extractant-diluent-acid complexation systems which support the experimental outcomes. The results of extraction equilibrium are discussed regarding dimerization constant (DMA), partition coefficient (PMA), extraction efficiency (EMA%), distribution coefficient (KD(MA)), overall extraction complexation equilibrium (KE(MA)) and loading factor (ZMA). The highest reactive extraction efficiency was 73.5% with 0.5962 mol.kg-1 TBP used in MIBK. Distribution coefficient (KD(MA)) of malonic acid in various diluents depicted trend as MIBK greater than octanol greater than heptane. The comparison between values predicted by equilibrium model and experimental outcomes shows that the relative basicity models have predicted better results than mass action law for reactive extraction of malonic acid. The numbers of theoretical units (NTU) were calculated to be 2 which were estimated by the modified Kremser equation for designing countercurrent reactive extraction column.
Compounds
# Formula Name
1 C3H4O4 propanedioic acid
2 C7H16 heptane
3 C8H18O octan-1-ol
4 C6H12O 4-methylpentan-2-one
5 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
  • 5
  • 3
  • 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
  • spectroscopy
  • 5
  • POMD
  • 1
  • 5
  • 4
  • 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
  • spectroscopy
  • 5
  • POMD
  • 1
  • 5
  • 2
  • 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
  • spectroscopy
  • 5