The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
A high performance liquid chromatography(HPLC) method was proposed to monitor the synthesis and purification of the 1-alkyl-3-methylimidazolium ionic liquid precursors from alkylation of 1-methylimidazole with alkyl h...A high performance liquid chromatography(HPLC) method was proposed to monitor the synthesis and purification of the 1-alkyl-3-methylimidazolium ionic liquid precursors from alkylation of 1-methylimidazole with alkyl halides and determine the purity of final products.The results showed that separation of 1-methylimidazole from the precursors could be obtained under the HPLC performance conditions such as cation exchange column,acetonitrile/KH2PO4 aqueous solution and 209 nm wavelength.The content of unreacted 1-methylimidazole in the precursors could be easily calculated from their corresponding HPLC peak areas with the calibration curve of 1-methylimidazole.The retention times of the 1-alkyl-3-methylimidazolium ionic liquid precursors decreased with their increasing alkyls,and the ionic liquids with the same cation and different anions had almost the same retention times.展开更多
Performances of 1-butyl-3-methylimidazolium aluminium chloride (BMIMClAlCl3) ionic liquid as catalyst for the alkylation of benzene with long chain olefins were investigated in a continuous operation mode. A small pil...Performances of 1-butyl-3-methylimidazolium aluminium chloride (BMIMClAlCl3) ionic liquid as catalyst for the alkylation of benzene with long chain olefins were investigated in a continuous operation mode. A small pilot plant with continuous mixingreactingseparatingrecycling functions, equipped with a static mixer reactor, a tube packed with metal Al thread and a combined liquidliquid settling phase separator, was introduced as an alternative. The results showed that the continuous fast mixing and separation of ionic liquid catalyst from reactant mixture could be synchronously accomplished within a wider flow rate ratio range of the recycling reaction mixture to the ionic liquid catalyst. The recycling of chloroaluminate ionic liquid was realized. ICPAES detection results of Al content in the reactants proves that in-situ Al compensation to the reaction system may be an important choice to prolong the stable running time of moisture-sensitive ionic liquid BMIMClAlCl3 when feedstock inevitably contains trace water. It suggests that the activity of chloroaluminate ionic liquid is recovered under the in-situ Al compensation operation.展开更多
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
文摘A high performance liquid chromatography(HPLC) method was proposed to monitor the synthesis and purification of the 1-alkyl-3-methylimidazolium ionic liquid precursors from alkylation of 1-methylimidazole with alkyl halides and determine the purity of final products.The results showed that separation of 1-methylimidazole from the precursors could be obtained under the HPLC performance conditions such as cation exchange column,acetonitrile/KH2PO4 aqueous solution and 209 nm wavelength.The content of unreacted 1-methylimidazole in the precursors could be easily calculated from their corresponding HPLC peak areas with the calibration curve of 1-methylimidazole.The retention times of the 1-alkyl-3-methylimidazolium ionic liquid precursors decreased with their increasing alkyls,and the ionic liquids with the same cation and different anions had almost the same retention times.
基金State Key Fundamental Research Program (No.G2000048006)
文摘Performances of 1-butyl-3-methylimidazolium aluminium chloride (BMIMClAlCl3) ionic liquid as catalyst for the alkylation of benzene with long chain olefins were investigated in a continuous operation mode. A small pilot plant with continuous mixingreactingseparatingrecycling functions, equipped with a static mixer reactor, a tube packed with metal Al thread and a combined liquidliquid settling phase separator, was introduced as an alternative. The results showed that the continuous fast mixing and separation of ionic liquid catalyst from reactant mixture could be synchronously accomplished within a wider flow rate ratio range of the recycling reaction mixture to the ionic liquid catalyst. The recycling of chloroaluminate ionic liquid was realized. ICPAES detection results of Al content in the reactants proves that in-situ Al compensation to the reaction system may be an important choice to prolong the stable running time of moisture-sensitive ionic liquid BMIMClAlCl3 when feedstock inevitably contains trace water. It suggests that the activity of chloroaluminate ionic liquid is recovered under the in-situ Al compensation operation.
