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离子液体物理化学性质数据库及QSPR分析 被引量:21

Database and QSPR of Physical Properties of Ionic Liquids
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摘要 收集了1984~2004年文献中报道的有关离子液体物理性质的数据,建立了离子液体物理性质数据库.数据库共包含600多种离子液体,约3 500条数据.基于这些数据,进行了离子液体定量结构-性质相关性(QSPR)的研究,对两种常见体系(双取代咪唑四氟硼酸盐和双取代咪唑六氟磷酸盐)的熔点进行了关联和预测研究结果对离子液体的设计与应用具有指导意义. The data of physical properties for ionic liquids in the period from 1984 to 2004 were collected and a database of ionic liquids was established. There are totally around 600 ionic liquids and 3 500 data m the database. The quantitative structure-property relationship (QSPR) of the melting points was studied for two common kinds of ionic liquids, disubstituted imidazolium tetrafiuoroborate and disubstituted imidazolium hexafluorophosphate. This work is of importance to the design and application of ionic liquids.
出处 《过程工程学报》 CAS CSCD 北大核心 2005年第6期698-702,共5页 The Chinese Journal of Process Engineering
基金 国家自然科学基金重点资助项目(编号:20436050)
关键词 离子液体 物理性质 数据库 QSPR ionic liquids physical properties database QSPR
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参考文献21

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