Liquid-liquid equilibria of Aliquat 336 + green solvents + water for replacement of petroleum-based solvents: Intramolecular analysis and thermodynamic behavior

Abstract

The investigations of Aliquat 336 dissolved in green solvents: corn oil, rice bran oil, and sunflower oil, compared with toluene and kerosene to replace the petroleum-based solvents. Liquid-liquid equilibria of adjusted pH water + Aliquat 336 + solvents were evaluated at 303.2 K, 313.2 K, and 323.2 K and 0.1 MPa. The mass fraction of Aliquat 336 was carried out in the range 25–75 wt%. The performance of solvents was explored through the distribution coefficient (D) and selectivity factor (S). The Van’t Hoff, Jouybran – Acree model, modified Jouybran - Acree - Van’t Hoff, and nonrandom two liquid (NRTL) models were investigated. The mixed Gibbs free energy topology (GM(L)) analysis was applied to verify the accuracy of binary interaction parameters from the model. It is seen that corn oil at 303.2 K proved to be the most efficient solvent to dilute Aliquat 336. As verified by the good, correlated root mean square deviations and the GM(L) analysis, the NRTL model fits in well with the tie-line experimental data. The density functional theory reveals the stronger molecular interaction between Aliquat 336 and green oils than petroleum-based solvents. In line with the properties effect, the dielectric constants and viscosity are seen to further support the experimental results.