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化学学报
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化学学报 ›› 1994, Vol. 52 ›› Issue (6): 729-737. 上一篇    

研究论文

一种半经验的关联-预测活度系数的系统

汪绍昆   

  1. 南京化工学院化学工程系
  • 发布日期:1994-06-15

A semi-empirical correlation-prediction system for activity coefficients

WANG SHAOKUN   

  • Published:1994-06-15

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提出一种半经验的关联-预测活度系数的系统。二元系的活度系数用一过量自由焓模型推算。该模型的模型参数从2个代数方程联立求解, 其一关联模型参数与γ^∞, 另一关联模型参数与(dγ-dx)x=0。γ^∞用MOSCED模型由纯组分性质关联。(dγ/dx)x=0用三维溶解度参数关联。用该系统对145组等温极性二元系作了预测, 对计算结果与实验值作了对比。F0T6R19

关键词: 二元体系, 汽液平衡, 活性系数, 溶解度, 数学模型, 极性, 等温, 自由焓, 预测

A semi-empirical correlating and predicting system for activity coefficients is proposed. The activity coefficients of binary systems are predicted by an excess Gibbs energy model in which the model parameters are evaluated from two algebraic equations which relate limiting activity coefficient and (dγ/dx)x=0 to the model parameters. The Limiting activity coefficient is correlated with the MOSCED model, and (dγ/dx)x=0 from Hansen's three-dimensional solubility parameters. Predictions for 145 isothermal polar binary systems are compared with experimental values. F0T6R19

Key words: BINARY SYSTEM, VAPOR LIQUID EQUILIBRIUM, ACTIVITY COEFFICIENT, SOLUBILITY, MATHEMATICAL MODELS, POLARITY, ISOTHERMALS, FREE ENTHALPY, PREDICTION

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