| 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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| 引用本文： | 方云进,钱俊明.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[J].中国化学工程学报,2005,13(2):271-275. |
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| 作者姓名： | 方云进 钱俊明 |
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| 作者单位： | UNILABResearchCenterofChemicalReactionEngineering,EastChinaUniversityofScienceandTechnology,Shanghai200237,China |
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| 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.
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| 关 键 词： | UNIFAC 气-液平衡 化学性质 毒性 环境污染 分子结构 甲醇 |
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Estimation and Test of Interaction Parameters in the UNIFAC Model of Group-OCOO-with Group-CH3,ACH, CH3OH and CH3COO- |
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| 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].Chinese Journal of Chemical Engineering,2005,13(2):271-275. |
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| Authors: | FANG Yunjin Qian Junming |
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| Affiliation: | UNILAB Research Center of Chemical Reaction Engineering,East China University of Science and Technology,Shanghai 200237,China;UNILAB Research Center of Chemical Reaction Engineering,East China University of Science and Technology,Shanghai 200237,China |
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| 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 CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower. |
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| Keywords: | vapor-liquid equilibria dimethyl carbonate UNIFAC carbonate group interaction parameters |
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