基于UNIFAC模型的基团—OCOO—与—CH3, ACH, CH3OH和CH3COO—的交互作用参数估算与验证

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基于UNIFAC模型的基团—OCOO—与—CH_3,ACH, CH₃OH和CH₃COO—的交互作用参数估算与验证

方云进; 钱俊明

UNILABResearchCenterofChemicalReactionEngineering,EastChinaUniversityofScienceandTechnology,Shanghai200237,China

收稿日期:1900-01-01 修回日期:1900-01-01 出版日期:2005-04-28 发布日期:2005-04-28
通讯作者: 方云进

Estimation and Test of Interaction Parameters in the UNIFAC Model of Group—OCOO—with Group—CH₃, ACH, CH₃OH and CH₃COO—

FANG Yunjin; QIAN Junming

UNILABResearchCenterofChemicalReactionEngineering,EastChinaUniversityofScienceandTechnology,Shanghai200237,China

Received:1900-01-01 Revised:1900-01-01 Online:2005-04-28 Published:2005-04-28
Contact: FANG Yunjin

摘要/Abstract

摘要： Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group —OCOO— with the group —CH3, ACH, CH3OH and CHACO0— in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAG parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMG and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.

关键词: UNIFAC;气-液平衡;化学性质;毒性;环境污染;分子结构;甲醇

Abstract: Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group —OCOO— with the group —CH3, ACH, CH3OH and CHACO0— in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAG parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMG and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.

Key words: vapor-liquid equiliria, dimethyl carbonate, UNIFAC, carbonate group, interaction parameters

方云进,钱俊明. 基于UNIFAC模型的基团—OCOO—与—CH_3,ACH, CH₃OH和CH₃COO—的交互作用参数估算与验证[J]. CIESC Journal.

FANG Yunjin, QIAN Junming. Estimation and Test of Interaction Parameters in the UNIFAC Model of Group—OCOO—with Group—CH₃, ACH, CH₃OH and CH₃COO—[J]. .

基于UNIFAC模型的基团—OCOO—与—CH_3,ACH, CH₃OH和CH₃COO—的交互作用参数估算与验证

Estimation and Test of Interaction Parameters in the UNIFAC Model of Group—OCOO—with Group—CH₃, ACH, CH₃OH and CH₃COO—

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