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.

在离子液体相平衡的测定、关联和预测方面，获得了以下信息：收集了离子液体纯组分和混合物的物理化学性质的参考文献，并将709个数据集的物理性质(热力学基本性质、相平衡和迁移性质)的文献信息输入PCE·ASOGDB。改进了含离子液体体系的液液平衡和固液平衡的测定方法。测定了[BMIM][PF6]+正丁醇和[HMIM][PF6]+正丁醇体系的二元互溶度，证实了这两个体系都存在较高的临界溶解温度。用活度系数模型(NRT1方程和UNIQUAC方程)对实验数据进行了关联，并用多元展开法建立了物性预测方法。此外，还开发了反向设计程序，可以找到具有指定物性数值的离子液体。

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

イオン液体II(大野弘幸監修)

离子液体II（大野博之监修）

• 发表时间: 2006
• 作者: 萩原理加;野平俊之;萩原理加
• 通讯作者: 萩原理加