离子液体体系的电导率测定、结构调控及其应用研究
结题报告
批准号:
21978172
项目类别:
面上项目
资助金额:
65.0 万元
负责人:
许映杰
依托单位:
学科分类:
化工热力学
结题年份:
2023
批准年份:
2019
项目状态:
已结题
项目参与者:
许映杰
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中文摘要
离子液体体系的无限稀释电导性质与离子-溶剂相互作用密切相关,是溶液热力学的重要研究对象。本项目拟测定咪唑型、吡啶型、吡咯烷型等离子液体+溶剂(水、醇、乙腈等)稀溶液的电导率,得到溶液及阴、阳离子的无限稀释摩尔电导率,进而获得离子的溶剂化半径、溶剂化自由能等热力学参数来表征离子-溶剂相互作用信息;在此基础上,通过改变阴阳离子类型与链长、咪唑阳离子功能化取代基(-NH2、-OH等)与芳香质子氢(C2-H)等结构因素,考察离子体积、氢键相互作用等对离子无限稀释电导性质的影响,构建离子无限稀释摩尔电导率与离子-溶剂相互作用的关系,揭示调控离子无限稀释电导性质的作用机制;最后,利用获得的离子-溶剂相互作用信息从微观层面阐明离子液体改变醇-水、乙腈-水等共沸体系汽液平衡的本质原因,并设计几种功能化离子液体应用于醇-水等体系的萃取精馏,实现其高效分离,从而为离子液体的分子设计及其结构调控打下良好的基础。
英文摘要
The limit molar conductivity property of ionic liquids (ILs) in various solvents is closely related to the ion-solvent interaction, which is of vital importance in solution thermodynamics. This project plans to determine the conductivity of dilute solution of imidazolium-, pyridinium- or pyrrolidinium-based ILs + solvents (water, alcohol, acetonitrile, etc.), which is used to obtain the limit molar conductivity of solution as well as cation and anion in various solvents. Then, thermodynamic properties parameters such as the solvation radius and solvation free energy, of ions are calculated by the limit molar conductivity respectively, which are employed to characterize the ion-solvent interaction information. According to the conductivity properties, the effect of ion volume and ion-solvent hydrogen bonding interaction on the limit molar conductivity of ions are investigated by changing the type and chain length of anion or cation, functionalized substituents (such as -NH2 and -OH) and aromatic proton hydrogen of cation (C2-H). After that, the relationship between the limit molar conductivity of ions and ion-solvent interaction is established. Consequently, the regulation mechanism of the limit molar conductivity of ions is revealed. Finally, the ion-solvent interaction obtained from the conductivity of ILs in various solvents is used to explore the effect of ILs on changing of vapor-liquid equilibrium of azeotropic mixture such as alcohol-water and acetonitrile-water systems at the micro level. As a result, several functional ILs will be designed and used to extractive distillation of alcohol-water systems to achieve efficient separation. This study will also promote a good foundation for the molecular design and structural regulation of ILs.
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DOI:10.1016/j.molliq.2020.112521
发表时间:2020-03
期刊:Journal of Molecular Liquids
影响因子:6
作者:Xiao Feng;Tingting Chen;Yuqiao Yin;Yingjie Xu
通讯作者:Xiao Feng;Tingting Chen;Yuqiao Yin;Yingjie Xu
DOI:--
发表时间:2020
期刊:计算机与应用化学
影响因子:--
作者:舒荷刚;许映杰
通讯作者:许映杰
DOI:--
发表时间:2020
期刊:化工学报
影响因子:--
作者:刘佳佳;付雪;许映杰
通讯作者:许映杰
DOI:--
发表时间:2021
期刊:Industrial & Engineering Chemistry Research
影响因子:--
作者:Fan Song;Yongjun Xiao;Shuhao An;Ren Wan;Yingjie Xu;Changjun Peng;Honglai Liu
通讯作者:Honglai Liu
DOI:10.1016/j.ijggc.2019.102934
发表时间:2020-03-01
期刊:INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
影响因子:3.9
作者:Shu, Hegang;Xu, Yingjie
通讯作者:Xu, Yingjie
1H NMR化学位移预测离子液体溶液体系的汽液平衡性质
  • 批准号:
    21406140
  • 项目类别:
    青年科学基金项目
  • 资助金额:
    25.0万元
  • 批准年份:
    2014
  • 负责人:
    许映杰
  • 依托单位:
国内基金
海外基金