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UNIFAC基团贡献法估算甲醇-碳酸二甲酯的汽液相平衡
引用本文:张鹏,王琨,张喻,侯丹莉,石大川,肖福魁.UNIFAC基团贡献法估算甲醇-碳酸二甲酯的汽液相平衡[J].化工科技,2003,11(5):32-35.
作者姓名:张鹏  王琨  张喻  侯丹莉  石大川  肖福魁
作者单位:1. 吉林化工学院,吉林,吉林,132022
2. 中国石油吉林石化公司,吉林,吉林,132021
3. 中国石油吉林石化公司,研究院,吉林,吉林,132021
基金项目:吉化博士后工作站资助项目。
摘    要:以甲醇-碳酸二甲酯为实验物系,在考虑了汽、液混合物非理想性的情况下,用UNIFAC基团贡献法估算了液相活度系数,用维里方程求算了汽相逸度系数。并最终给出了此二元物系在不同压力下的汽液相平衡数据,结果表明其共沸组成(甲醇摩尔分数)随压力的增高而增大,当压力从0.1MPa增至1.5MPa时,共沸组成由0.890增加到0.960。最后将常压下的相平衡数据与实验值进行了对比,二者的最大偏差为9.4%。

关 键 词:基团贡献法  估算  甲醇  碳酸二甲酯  汽液相平衡  活度系数
文章编号:1008-0511(2003)05-0032-04
修稿时间:2003年7月30日

PREDICTION OF VAPOR-LIQUID EQUILIBRIA BY UNIFAC MODEL FOR METHANOL-DIMETHYL CARBONATE SYSTEM
ZHANG Peng,WANG Kun,ZHANG Yu,HOU Dan-li,SHI Da-chuan,XIAO Fu-kui.PREDICTION OF VAPOR-LIQUID EQUILIBRIA BY UNIFAC MODEL FOR METHANOL-DIMETHYL CARBONATE SYSTEM[J].Science & Technology In Chemical Industry,2003,11(5):32-35.
Authors:ZHANG Peng  WANG Kun  ZHANG Yu  HOU Dan-li  SHI Da-chuan  XIAO Fu-kui
Affiliation:ZHANG Peng~1,WANG Kun~1,ZHANG Yu~2,HOU Dan-li~3,SHI Da-chuan~3,XIAO Fu-kui~3
Abstract:The vapor-liquid equilibrium calculations for methanol-dimethyl carbonate system at different pressures were performed. The liquid-phase nonidealities were described by activity coefficients, while the deviations from ideal-gas behavior in vapor phase were described by fugacity coefficients. The liquid-phase activity coefficients were estimated by UNIFAC group contribution method and the vapor-phase fugacity coefficients were obtained through truncated Virial equation of state. The results showed that the mole fraction of methanol at boiling point azeotrope varied from 0.890 to 0.960 with the pressures increasing from 0.1MPa to 1.5MPa. And the maximum deviation of the vapor-liquid equilibria from the experimental data at the atmospheric pressure was 9.4%.
Keywords:Group contribution method  Methanol  Dimethyl carbonate  Vapor-liquid equilibrium
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