Vapor-Liquid Equilibrium Prediction of Ammonia-Ionic Liquid Working Pairs of Absorption Cycle Using UNIFAC Model
On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）, NH3-1-butyl-3-methylimidazolium tetrafluoroborate （NH3-[Bmim][BF4]）, NH3-1,3-dimethylimidazolium dimethyl phosphate （NH3-[Mmim]DMP） and NH3-1-ethyl-3-methylimidazolium...
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| Published in | Chinese journal of chemical engineering Vol. 22; no. 1; pp. 72 - 78 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
2014
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1004-9541 2210-321X |
| DOI | 10.1016/S1004-9541(14)60008-2 |
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| Abstract | On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）, NH3-1-butyl-3-methylimidazolium tetrafluoroborate （NH3-[Bmim][BF4]）, NH3-1,3-dimethylimidazolium dimethyl phosphate （NH3-[Mmim]DMP） and NH3-1-ethyl-3-methylimidazolium ethylsulfate （NH3-[Emim]EtOSO3） binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient （ γ1∞ ） and the absorption potential （ φ1 ） are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of and φ1 of t6 sets of NH3-ionic liquid （1L） systems. The work found that the φ1 gradually increases following the impact order： φ1（[Cnmim][BF4]）〈φ1（[Cnmim]EtOSO3）〈φ1（[Cnmim]DMP）〈φ1（[Cnmim]Ac） （n= 1, 2, 3, … ） at a given cation of IL species and constant temperature, and φ1（[Mmim]X）〈φ1（[Emim]X）〈φ1（[Pmim]X）〈 φ1（[Bmim]X）（X= Ac, [BF4], DMP or EtOSO3） at a given anion of IL species and constant temperature. Furthermore, the φ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[BmimlAc has the best potential research value relatively. |
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| AbstractList | On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH3-1-ethyl-3-methylimidazolium acetate (NH3-[Emim]Ac), NH3-1-butyl-3-methylimidazolium tetrafluoroborate (NH3-[Bmim][BF4]), NH3-1,3-dimethylimidazolium dimethyl phosphate (NH3-[Mmim]DMP) and NH3-1-ethyl-3-methylimidazolium ethylsulfate (NH3-[Emim]EtOSO3) binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient ( gamma infinity 1) and the absorption potential ( psi 1) are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of gamma infinity 1 and psi 1 of 16 sets of NH3-ionic liquid (IL) systems. The work found that the psi 1gradually increases following the impact order: psi 1([Cnmim][BF4])< psi 1([Cnmim]EtOSO3)< psi 1([Cnmim]DMP) < psi 1([Cnmim]Ac) (n = 1, 2, 3,...) at a given cation of IL species and constant temperature, and psi 1([Mmim]X)< psi 1([Emim]X)< psi 1([Pmim]X)< psi 1([Bmim]X) (X = Ac, [BF4], DMP or EtOSO3) at a given anion of IL species and constant temperature. Furthermore, the psi 1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[Bmim]Ac has the best potential research value relatively. On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH3-1-ethyl-3-methylimidazolium acetate (NH3-[Emim]Ac), NH3-1-butyl-3-methylimidazolium tetrafluoroborate (NH3-[Bmim][BF4]), NH3-1,3-dimethylimidazolium dimethyl phosphate (NH3-[Mmim]DMP) and NH3-1-ethyl-3-methylimidazolium ethylsulfate (NH3-[Emim]EtOSO3) binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient (γ∞1) and the absorption potential (Ψ1) are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values ofγ∞1 and Ψ1 of 16 sets of NH3-ionic liquid (IL) systems. The work found that the Ψ1gradually increases following the impact order: Ψ1([Cnmim][BF4])<Ψ1([Cnmim]EtOSO3)<Ψ1([Cnmim]DMP)<Ψ1([Cnmim]Ac) (n = 1, 2, 3,…) at a given cation of IL species and constant temperature, and Ψ1([Mmim]X)<Ψ1([Emim]X)<Ψ1([Pmim]X)<Ψ1([Bmim]X) (X = Ac, [BF4], DMP or EtOSO3) at a given anion of IL species and constant temperature. Furthermore, the Ψ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[Bmim]Ac has the best potential research value relatively. On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）, NH3-1-butyl-3-methylimidazolium tetrafluoroborate （NH3-[Bmim][BF4]）, NH3-1,3-dimethylimidazolium dimethyl phosphate （NH3-[Mmim]DMP） and NH3-1-ethyl-3-methylimidazolium ethylsulfate （NH3-[Emim]EtOSO3） binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient （ γ1∞ ） and the absorption potential （ φ1 ） are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of and φ1 of t6 sets of NH3-ionic liquid （1L） systems. The work found that the φ1 gradually increases following the impact order： φ1（[Cnmim][BF4]）〈φ1（[Cnmim]EtOSO3）〈φ1（[Cnmim]DMP）〈φ1（[Cnmim]Ac） （n= 1, 2, 3, … ） at a given cation of IL species and constant temperature, and φ1（[Mmim]X）〈φ1（[Emim]X）〈φ1（[Pmim]X）〈 φ1（[Bmim]X）（X= Ac, [BF4], DMP or EtOSO3） at a given anion of IL species and constant temperature. Furthermore, the φ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[BmimlAc has the best potential research value relatively. On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH sub(3)-1-ethyl-3-methylimidazolium acetate (NH sub(3)-[Emim]Ac), NH sub(3)-1-butyl-3-methylimidazolium tetrafluoroborate (NH sub(3)-[Bmim][BF sub(4)]), NH sub(3)-1,3-dimethylimidazolium dimethyl phosphate (NH sub(3)-[Mmim]DMP) and NH sub(3)-1-ethyl-3-methylimidazolium ethylsulfate (NH sub(3)-[Emim]EtOSO sub(3)) binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient ((ProQuest: Formulae and/or non-USASCII text omitted)) and the absorption potential ([Psi] sub(1)) are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of (ProQuest: Formulae and/or non-USASCII text omitted) and [Psi] sub(1) of 16 sets of NH sub(3)-ionic liquid (IL) systems. The work found that the [Psi] sub(1) gradually increases following the impact order: [Psi] sub(1)([C sub(n)mim][BF sub(4)])<[Psi] sub(1)([C sub(n)mim]EtOS O sub(3))<[Psi] sub(1)([C sub(n)mim]DMP)<[Psi] sub(1)([C sub(n)mim]Ac) (n = 1, 2, 3, ... ) at a given cation of IL species and constant temperature, and [Psi] sub(1)([Mmim]X)<[Psi] sub(1)([Emim]X)<[Psi] sub(1)([Pmim]iX<[Psi] sub(1)([Bmim]X) (X = Ac, [BF sub(4)], DMP or EtOSO sub(3)) at a given anion of IL species and constant temperature. Furthermore, the [Psi] sub(1) gradually increases with increasing temperature. Then, it could be concluded that the working pair NH sub(3)-[Bmim]Ac has the best potential research value relatively. |
| Author | 孙光明 黄维佳 郑丹星 董丽 武向红 |
| AuthorAffiliation | College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China |
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| Keywords | ionic liquid ammonia vapor-liquid equilibrium absorption cycle working pairs UNIFAC model |
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| Notes | SUN Guangming , HUANG Weijia , ZHENG Danxing , DONG Li and WU Xianghong absorption cycle working pairs; vapor-liquid equilibrium; UNIFAC model; ammonia; ionic liquid 11-3270/TQ On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）, NH3-1-butyl-3-methylimidazolium tetrafluoroborate （NH3-[Bmim][BF4]）, NH3-1,3-dimethylimidazolium dimethyl phosphate （NH3-[Mmim]DMP） and NH3-1-ethyl-3-methylimidazolium ethylsulfate （NH3-[Emim]EtOSO3） binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient （ γ1∞ ） and the absorption potential （ φ1 ） are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of and φ1 of t6 sets of NH3-ionic liquid （1L） systems. The work found that the φ1 gradually increases following the impact order： φ1（[Cnmim][BF4]）〈φ1（[Cnmim]EtOSO3）〈φ1（[Cnmim]DMP）〈φ1（[Cnmim]Ac） （n= 1, 2, 3, … ） at a given cation of IL species and constant temperature, and φ1（[Mmim]X）〈φ1（[Emim]X）〈φ1（[Pmim]X）〈 φ1（[Bmim]X）（X= Ac, [BF4], DMP or EtOSO3） at a given anion of IL species and constant temperature. Furthermore, the φ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[BmimlAc has the best potential research value relatively. ObjectType-Article-2 SourceType-Scholarly Journals-1 ObjectType-Feature-1 content type line 23 ObjectType-Article-1 ObjectType-Feature-2 |
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| Snippet | On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）,... On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH3-1-ethyl-3-methylimidazolium acetate (NH3-[Emim]Ac),... On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH sub(3)-1-ethyl-3-methylimidazolium acetate (NH sub(3)-[Emim]Ac), NH... |
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| SubjectTerms | absorption cycle working pairs Affinity ammonia Chemical engineering Deviation Dimethyl Interaction parameters ionic liquid Liquids Mathematical models Phosphates Texts UNIFAC model UNIFAC模型 vapor-liquid equilibrium 吸收循环 工质对 平衡预测 循环利用 无限稀释活度系数 甲基咪唑 离子液体 |
| Title | Vapor-Liquid Equilibrium Prediction of Ammonia-Ionic Liquid Working Pairs of Absorption Cycle Using UNIFAC Model |
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