It is important to know how ILs(ionic liquids)influence organic reaction.In this paper,activity coefficients at infinite dilution of more than 80 organic compounds in ILs are collected and analyzed systematically.Thro...It is important to know how ILs(ionic liquids)influence organic reaction.In this paper,activity coefficients at infinite dilution of more than 80 organic compounds in ILs are collected and analyzed systematically.Through the study on typical organic reactions happened in ILs,such as Diels-Alder,esterification and Friedel-Crafts reaction,the ratio of activity coefficients at infinite dilution of products and reactants is employed to estimate different effects of different structural ILs on the rate and selectivity of reactions.展开更多
The separations of olefin/paraffin,aromatic/aliphatic hydrocarbons or olefin isomers using ionic liquids instead of volatile solvents have interested many researchers.Activity coefficientsγ∞at infinite dilution of a...The separations of olefin/paraffin,aromatic/aliphatic hydrocarbons or olefin isomers using ionic liquids instead of volatile solvents have interested many researchers.Activity coefficientsγ∞at infinite dilution of a solute in ionic liquid are generally used in the selection of solvents for extraction or extractive distillation.In fact,the measurement ofγ∞by gas-liquid chromatography is a speedy and cost-saving method.Activity coefficients at infinite dilution of hydrocarbon solutes,such as alkanes,hexenes,alkylben-zenes,styrene,in 1-allyl-3-methylimidazolium tetrafluorobo-rate([AMIM][BF4])and 1-butyl-3-methyl imidazolium hexafluorophosphate([BMIM][PF6]),1-isobutenyl-3-methylimidazolium tetrafluoroborate([MPMIM][BF4])and[MPMIM][BF4]-AgBF4 have been determined by gas-liquid chromatography using ionic liquids as stationary phase.The measurements were carried out at different temperatures from 298 to 318 K.The separating effects of these ionic liquids for alkanes/hexane,aliphatic hydrocarbons/benzene and hexene isomers have been discussed.The hydrophobic parameter,dipole element,frontier molecular orbital energy gap and hydration energy of these hydrocarbons were calculated with the PM3 semi-empirical quantum chemistry method.The quantitative relations among the computed structure para-meters and activity coefficients at infinite dilution were also developed.The experimental activity coefficient data are consistent with the correlated and predicted results using QSPR models.展开更多
The original van Laar's theory has been modified. The internal pressures of components and mixture are expressed by Frank's relation and the excess entropy for mixing of components is also considered. A new ac...The original van Laar's theory has been modified. The internal pressures of components and mixture are expressed by Frank's relation and the excess entropy for mixing of components is also considered. A new activity coefficient equation, which can be satisfactorily applied to polymer solutions, is obtained. The calculated results for the VLE of 179 polymer solutions show that the accuracy of fit is evidently superior to UNIQUAC equation.展开更多
基金Supported by the National Natural Science Foundation of China（21176248）
文摘It is important to know how ILs(ionic liquids)influence organic reaction.In this paper,activity coefficients at infinite dilution of more than 80 organic compounds in ILs are collected and analyzed systematically.Through the study on typical organic reactions happened in ILs,such as Diels-Alder,esterification and Friedel-Crafts reaction,the ratio of activity coefficients at infinite dilution of products and reactants is employed to estimate different effects of different structural ILs on the rate and selectivity of reactions.
基金supported by the Science Foundation of China Petroleum&Chemical Corporation(Grant No.X504031).
文摘The separations of olefin/paraffin,aromatic/aliphatic hydrocarbons or olefin isomers using ionic liquids instead of volatile solvents have interested many researchers.Activity coefficientsγ∞at infinite dilution of a solute in ionic liquid are generally used in the selection of solvents for extraction or extractive distillation.In fact,the measurement ofγ∞by gas-liquid chromatography is a speedy and cost-saving method.Activity coefficients at infinite dilution of hydrocarbon solutes,such as alkanes,hexenes,alkylben-zenes,styrene,in 1-allyl-3-methylimidazolium tetrafluorobo-rate([AMIM][BF4])and 1-butyl-3-methyl imidazolium hexafluorophosphate([BMIM][PF6]),1-isobutenyl-3-methylimidazolium tetrafluoroborate([MPMIM][BF4])and[MPMIM][BF4]-AgBF4 have been determined by gas-liquid chromatography using ionic liquids as stationary phase.The measurements were carried out at different temperatures from 298 to 318 K.The separating effects of these ionic liquids for alkanes/hexane,aliphatic hydrocarbons/benzene and hexene isomers have been discussed.The hydrophobic parameter,dipole element,frontier molecular orbital energy gap and hydration energy of these hydrocarbons were calculated with the PM3 semi-empirical quantum chemistry method.The quantitative relations among the computed structure para-meters and activity coefficients at infinite dilution were also developed.The experimental activity coefficient data are consistent with the correlated and predicted results using QSPR models.
基金Supported by the National Natural Science Foundation of China(No.29376236).
文摘The original van Laar's theory has been modified. The internal pressures of components and mixture are expressed by Frank's relation and the excess entropy for mixing of components is also considered. A new activity coefficient equation, which can be satisfactorily applied to polymer solutions, is obtained. The calculated results for the VLE of 179 polymer solutions show that the accuracy of fit is evidently superior to UNIQUAC equation.
