Experimental Data and Theoretical (Chemodel Using the Differential Evolution Approach and Linear Solvation Energy Relationship Model) Predictions on Reactive Extraction of Monocarboxylic Acids Using Tri-n-octylamine

Abstract

The carboxylic acids such as ethanoic, propanoic, and butanoic acids are most widely used in pharmaceutical, agricultural, polymer, and chemical industries. The separation of acids from fermentation broth and aqueous waste stream can be intensified by reactive extraction. The reactive extraction of carboxylic acids (ethanoic, propanoic, and butanoic acids) by N,N-dioctyloctan-1-amine (TOA) with six different diluents [decane, benzene, 4-methyl-2-pentanone (MIBK), decan-1-ol, chloroform, and decane (w ) 0.725) + decan-1-ol (w ) 0.275)] is studied. The physical equilibria using pure diluents with the same conditions are also studied. Distribution coefficients, loading factors, and degree of extraction are calculated as a result of batch extraction experiments. In the present work, a population-based search algorithm, differential evolution (DE), is employed as an optimization routine to estimate the optimum values of equilibrium constants (K E ) and stoichiometries of reactive extraction (m:n) through proposed mathematical models. On the basis of stoichiometries, the equilibrium constants (K 11 , K 21 , and K 31 ) for individual complexes between acid and extractant are also estimated. In addition to these parameters, the linear solvation energy relationship (LSER) model is applied to evaluate distribution coefficients, and the LSER equation is presented for each acid. The extraction power of amine/diluent system increases in the order of chloroform g decan-1-ol > MIBK > decane (w ) 0.725) + decan-1-ol (w ) 0.275) g benzene > decane. † Part of the "Sir John S. Rowlinson Festschrift".

Equilibrium Study on Reactive Extraction of Nicotinic Acid from Aqueous Solution

“…Based on the estimated values of m per TOA molecule, the formation of different types of complexes, i.e., (1, 1) and (2, 1) are considered [8]. The stoichiometric equations describing the extraction are given by Eqs.…”

Experimental and Theoretical Investigations on the Reactive Extraction of Itaconic (2-Methylidenebutanedioic) Acid Using Trioctylamine (N,N-Dioctyloctan-1-amine)

“…29 Since, polar diluents were found to be better solvating diluents and also enhanced the extractability of nonpolar extractants for the recovery of organic acids from aqueous solution. 30 In the present study, the experimental and theoretical investigation is performed on the reactive extraction of itaconic acid with N,N-dioctyloctan-1-amine or trioctylamine (TOA) in wide range of solvents such as alkane (octane and decane), ester (ethyl acetate and propyl acetate), ketone (2-heptanone and 2-octanone), and alcohol (octan-1-ol, nona-1-ol and decan-1-ol). The equilibrium data are used to determine the stoichiometry (m:n), the values of the overall (K E ) and the individual equilibrium constants (K 11 , K 21 , and K 12 ) for 1:1, 2:1, and 1:2 complexes of reactive extraction.…”

Reactive Extraction of Citric Acid Using Different Extractants: Equilibrium, Kinetics and Modeling

“…The present work aims at analyzing the extraction efficiency and liquid-liquid equilibria of citric acid using TBP, TOA, and A336 in MIBK. The stoichiometry of acid-extractant complex in these three systems was analyzed graphically, as well as using the modeling approach with differential evolution 16 as an optimization technique. This apart, investigating TOA+MIBK system as the most efficient extraction system in the extraction equilibrium studies, the same has been chosen for the kinetic studies of reactive extraction of citric acid from dilute aqueous solutions.…”