离子液体-低碳醇-水体系的液液相行为及热力学模拟

项目名称： 离子液体-低碳醇-水体系的液液相行为及热力学模拟

项目编号： No.21306093

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 化学工业

项目作者： 王英龙

作者单位： 青岛科技大学

项目金额： 25万元

中文摘要： 针对生物质发酵液中低碳醇与水分离困难的问题，拟从构成离子液体（ILs）的阴阳离子种类、阴阳离子组合方式、阳离子支链取代基类型、分子结构、碳链长度等角度出发，系统考察典型ILs-低碳醇-水体系在不同温度下的相行为，确定ILs对低碳醇-水体系液液平衡（LLE）的影响因素并得到影响机理，研究基于ILs作为萃取剂的低碳醇水生物质发酵液体系的分离，为含乙醇、丁醇、戊醇等低碳醇类生物质能源的高效利用奠定基础。基于三元LLE实验双结点曲线，将分子连接性指数引入到含ILs三元体系的热力学模拟中，探究不同温度下，三元体系中ILs与醇及水的二元交互作用参数的变化规律，在稳健型的交互作用参数的基础上，发展可用于含ILs的醇水体系液液平衡计算的扩展NRTL、UNIQUAC、UNIFAC模型。

中文关键词： 离子液体；低碳醇；共沸体系；热力学模拟；分离过程

英文摘要： The types and the combinations form the anion and cation constituting ionic liquids (ILs), and the substituent group types of cationic branched chain, molecular structure and the carbon chain length and so on are planed to be considered to solve the difficulties of the separation of lower alcohols and water in biomass fermentation. The phase behaviors for the system of typical ILs + lower alcohols + water at different temperatures are investigated systematically to determine the influence factors of ILs on the liquid-liquid equilibrium (LLE) of the system consisting of lower alcohols and water, and get the influence mechanisms. The research about the separation of aqueous biomass fermentation including lower alcohols based on ILs used as extraction agent can lay the foundation for the efficient utilization of biomass energy containing lower alcohols such as ethanol, butanol, amyl alcohol and so on. The molecular connectivity index is introduced into the thermodynamic modeling for the ternary system containing ILs based on the ternary LLE experimental binodal curve. Moreover, the change rule of binary interaction parameters for ILs and alcohol, ILs and water in ternary system at different temperature is explored. The extended NRTL, UNIQUAC and UNIFAC model are developed on the basis of the stable interaction para

英文关键词： Ionic liquids；Low carbon alcohols；Azeotropic；Thermodynamics model；Separation process