Calculation of liquid-liquid phase separation in a ternary system of a polymer in a mixture of a solvent and a nonsolvent

Abstract

A numerical method for the calculation of the binodal of liquid-liquid phase separation in a ternary system is described. The Flory-Huggins theory for three-component systems is used. Binodals are calculated for polymer/solvent/nonsolvent systems which are used in the preparation of asymmetric ultrafiltration or reverse osmosis membranes: cellulose acetate/solvent/water and polysulfone/solvent/water. The values for the binary interaction parameters are taken from literature sources. The effect of a concentration-dependent solvent/nonsolvent interaction parameter is discussed. Although knowledge of the interaction parameters for all compositions in the ternary system is rather poor, fairly good agreement has been found between calculated and experimentally found miscibility gaps when the solvent/nonsolvent parameter is taken to be concentration dependent and the other parameters, the polymer/solvent and the polymer/nonsolvent interaction parameter, are kept constant.