摘要
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.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2009年第9期1106-1110,共5页
Computers and Applied Chemistry
关键词
UNIFAC模型
汽液平衡
活度系数
UNIFAC model, vapor-liquid equilibrium, activity coefficient