摘要
为了更好地预测高分子溶液的汽液平衡 ,本文应用PSRK模型改进的混合规则 [即将组合项 (∑xilnb bi)与原UNIFAC模型中的组合项 (Flory_Huggins项 )相抵消所获得的简化的混合规则 ]来计算方程的能量参数a。为了计入自由体积效应对高分子溶液的过量Gibbs自由能的贡献 ,在计算体积参bij时 ,将原混合规则中的指数修订为b1 2ij =(b1 2i +b1 2j ) 2。应用PSRK模型结合改进的混合规则预测二元高分子溶液体系的汽液平衡 。
To extend PSRK model to describe polymer-solvent vapor_liquid equilibria(VLE), the modified mixing rule for the parameter b is an exponent of 1/2 for the binary parameter b ij . For pure polymers, a set of parameters ( a/MW and b / MW ) are employed to keep the parameters to be independent of molecular weight (MW). The PSRK model with modified mixing rule is applied to the prediction of VLE data for binary polymer solutions over a large rang of temperature and pressure with satisfactory results.
出处
《高分子通报》
CAS
CSCD
2004年第2期75-77,84,共4页
Polymer Bulletin
