UNIFAC及其改进模型的评价研究

Study on evaluation of UNIFAC and its modified models

用UNIFAC及其修正模型估算了含芳香烃、二甲苯同分异构体和极性物质体系的汽液平衡,并将计算结果与实验数据相比较。结果表明,原始UNIFAC模型对含二甲苯同分异构体体系计算精度高于UNIFAC(Larsen)模型和UNIFAC(Dortmund)模型好,而对于极性或弱极性体系,则后2种模型结果较令人满意,但对于强极性体系偏差较大。

Estimate vapor-liquid equilibrium using UNIFAC and its models for systems containing aromatic hydrocarbon, xylene isomers and polar compound. Compare with experiment values, the results shows that： the calculation values of systems containing xylene isomers using original UNIFAC model is better than UNIFAC（Larsen） model and UNIFAC（Dortmund） model, which meet the estimation request; the later two models is better than original UNIFAC model for polar systems, but the deviation is large for strong polar systems.