Measurement, Correlation and Prediction of Phase Equilibria Necessary For Developing Applicable Method of Ionic Liquids As a Separation Solvent

开发离子液体作为分离溶剂的适用方法所需的相平衡测量、关联和预测

• 批准号: 17560667
• 负责人: TOCHIGI Katsumi
• 金额: $ 2.41万
• 依托单位: Nihon University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2005
• 资助国家: 日本
• 起止时间: 2005 至 2007
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-17560667/
• 关键词: Ionic Liquids; Phase Equilibria; Transport Property; Thermodynamic Fundamental Property; PCPCE・ASOGDB; Activity Coefficient Equation; Poly Expansion Equation; Reverse Design; 分離溶剤; 粘度; イオン伝導度; 融点; 無限希釈活量係数; 液液平衡; 測定; 評価; 推算; ガスクロマトグラフ法

On the measurement, correlation and prediction of phase equilibria for ionic liquids, the following information was obtained.The references of physicochemical properties have been collected for the pure components and mixtures for ionic liquids, and the literature information of physical properties (thermodynamic fundamental properties, phase equilibria and transport properties) for 709 datasets have put in PCPCE・ASOGDB.The measure method of liquid-liquid equilibria and solid-liquid equilibria for ionic liquids-containing system have been improved. The binary mutual solubilities have been measured for [BMIM] [PF6]+1-butanol and [HMIM][PF6]+1-butanol systems, and it has been confirmed that both systems have upper critical solution temperatures. The correlation of experimental data have been made using activity coefficient models (NRT1 equation and UNIQUAC equation).The predictive method of physical properties has been developed using poly expansion method. Furthermore the recverse design procedure has been developed, we can find the ionic liquids with the specified numerical values of physical properties.

关于离子液体的相位平衡的测量，相关性和预测，获得了以下信息。已经收集了物理特性的参考，用于离子液体的纯成分和混合物的物理特性，物理性能的文献信息，以及在PCPCE中的709数据列表的物理特性（热力学基本属性，相位平衡和运输属性）。含离子液体系统的液液平衡和固液平衡已改善。已经测量了[BMIM] [PF6]+1-丁醇和[HMIM] [PF6]+1-丁醇系统的二元互解决方案，并且已经证实，这两个系统都具有上限的临界溶液温度。实验数据的相关性已经使用活性系数模型（NRT1方程和独立方程）进行。物理性质的预测方法已使用Poly Expandion方法开发。此外，已经开发了回顾性设计程序，我们可以找到具有物理性质的指定数值的离子液体。

项目成果

Estimation of Ionic Conductivity and Viscosity of Ionic Liquids Using a QSPR Model

• DOI: 10.1021/jp073839a
• 发表时间: 2007-10
• 期刊: Journal of Physical Chemistry C
• 影响因子: 3.7
• 作者: K. Tochigi;H. Yamamoto

化学工学物性定数データベースPCPCE・ASOGDBの構築-イオン液体系を含む系-

化工物理性质常数数据库PPCCE/ASOGDB的构建 - 包括离子液体体系在内的系统 -

• 发表时间: 2007
• 作者: 安藤嘉彦;松田弘幸;栗原清文;栃木勝己
• 通讯作者: 栃木勝己

Computer-aided reverse design for ionic liquids By QSPR using group contribution type for ionic conductivities and Viscosities

离子液体的计算机辅助逆向设计通过 QSPR 使用离子电导率和粘度的基团贡献类型

• 发表时间: 2007
• 期刊: Fluid Phase Equilibria 261
• 作者: Matsuda;Tochigi;et al.
• 通讯作者: et al.

(依頼講演)イオン液体を含む系の相平衡と輸送物性の推算

（特邀报告）含离子液体体系的相平衡和输运性质的估计

• 发表时间: 2006
• 作者: 栃木勝己;山本博志
• 通讯作者: 山本博志

Liquid-liquid Equilibria of Two Ionic Liquids [BMIM][PF_6]and [HMIM][PF_6]+1-Butanol Systems

两种离子液体[BMIM][PF_6]和[HMIM][PF_6] 1-丁醇体系的液液平衡

• 发表时间: 2008
• 期刊: Book of Abstract of 12^<th> Asian Pacific Confederation of Chemical Engineering Congress 5-6
• 作者: Matsuda;Tochigi;et al.
• 通讯作者: et al.