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

机译:计算溶剂和非溶剂混合物中聚合物三元体系中的液 - 液相分离

摘要

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.
机译:描述了一种用于计算三元体系中液相分离的二元方程的数值方法。使用了三组分系统的Flory-Huggins理论。计算用于不对称超滤或反渗透膜制备的聚合物/溶剂/非溶剂系统的二元醇:乙酸纤维素/溶剂/水和聚砜/溶剂/水。二元相互作用参数的值取自文献来源。讨论了浓度依赖性溶剂/非溶剂相互作用参数的影响。尽管对于三元体系中所有组合物的相互作用参数的了解都很少,但是当溶剂/非溶剂参数与浓度相关时,在计算和实验中发现的混溶性间隙与其他参数(聚合物/溶剂和聚合物/非溶剂相互作用参数保持恒定。

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