The
theoretical and experimental studies on the reactive extraction
of pimelic acid (PA) from dilute aqueous solutions with tri-n-octylamine (TOA) in three different green and natural
solvents namely, rice bran oil, sunflower oil (SFO), and soybean oil
are carried out. In addition, physical extraction (extraction with
pure solvent, natural oil) is also studied to determine the partition
and dimerization constants. The experiments on reaction equilibria
were performed to calculate the extraction efficiencies with variable
TOA concentration, PA concentration, type of diluent/solvent, and
temperature at atmospheric pressure (101.325 ± 1 kPa). The acid
distribution coefficient (K
D), degree
of extraction (E, %), and loading factor (Z) were calculated as the extraction efficiencies to recover
the PA from aqueous solution. The maximum K
D (7.76) and extraction yield (88.58%) were obtained for initial PA
concentration (C
H2P,o= 0.2497
kmol·m–3) with 0.687 kmol·m–3 TOA concentration (C̅
S,o) dissolved
in sunflower oil. The overall stoichiometry and reaction equilibrium
constant (K
E) and individual acid-extractant
complexation constants (K
11, K
12,
K
21, and K
31) of 1:1, 1:2, 2:1, and 3:1 PA–TOA complexes
in the organic phase and their complex concentrations (C
11, C
12,
C
21, and C
31) are determined
using an equilibrium chemical model and bioinspired genetic algorithm,
differential evolution, for better understanding of the reaction mechanism.
Moreover, based on extraction conditions, the thermodynamic study
is carried out to determine the change in enthalpy (−1320.11
J·mol–1), entropy (−3.63427 J·mol–1·K–1), and Gibbs free energy
(−254.72 J·mol–1·K–1) of reactive separation of PA with TOA–SFO.