Phase equilibrium for ternary liquid systems of water plus carboxylic acid plus chlorinated hydrocarbon: Thermodynamic modeling through SERLAS

Abstract

Liquid-liquid equilibrium data of the solubility (binodal) curves and tie-line end compositions are presented for mixtures of [water (1) + formic acid, or acetic acid, or propanoic acid (2) + chlorobenzene, or 1,2-dichloroethane (3)] at T = 293.2 K and P = 101.3 0.7 kPa. A log-basis approach, SERLAS (solvation energy relation for liquid-associated system), has been proposed to estimate the properties and liquid-liquid equilibrium (LLE) of associated systems containing proton-donating and -accepting and polar components capable of a physical interaction through hydrogen bonding or dipole-dipole interaction. The tie lines were also correlated using the UNIFAC-original model. The reliability of the models has been analyzed against the LLE data with respect to the distribution coefficient and separation factor. The proposed model appears to be an improvement in data fit for the ternary systems, yielding a mean relative error of 10.1% for all the systems considered.