摘要
采用几种局部组成模型作了过量焓（H^E）推算液液平衡（LLE）的探索。结果表明NRTL、UNIQUAC及其改进型（参数设为温度函数关系）的推算效果均很差，甚至连定性正确的推算也不能提供，汪文川等提出的“完善”的局部组成模型对某些体系有较佳的推算能力，作者对此模型作了进一步研究，经验地增加了RTbx1 x2lnT项，并设配位数Z为可变参数，改进模型推算精度明显提高，对某些体系其推算精度与Rowley等报导结果相当。
Several local composition models were used to predict liquid-liquid equilibria (LLE) from excess enthalpies data. The results show that NRTL, UNIQUAC and their modified models (modified by inclusion of temperature-dependent parameters) can hardly provide even qualitatively correct LLE predictions. A compelete local composition model by Wang et al. yields good predictions for some systems but incorrect results for others. Furthermore, the model was modified by introducing a term of RTbx_1x_2lnT empirically and assuming coordination number Z to be a variable parameter. The modified model is more accurate for LLE predictions and this is in agreement with that reported by Rowley for some systems.
关键词
液液平衡推算
局部组成模型
过量焓
prediction of LLE
local composition model
excess enthalpy
