混合绿色溶剂复杂体系化学热力学与分子间相互作用研究

Supercritical fluids, ionic liquids and water are important green solvents. Mixed green solvents have some unique properties. They have wide potential applications in different fields, such as extraction and fractionation, chemical reactions, and materials science. Study of thermodynamic properties and intermolecular interactions of mixed green solvents systems is a very interesting topic. This area is at starting its stage and many challenging issues need to be solved. In this project, we will design and construct a series of mixed solvents systems (e.g., supercritical fluids/water, supercritical fluids/ionic liquids, ionic liquids/water, supercritical fluids/water/ionic liquids) and that consist of mixed solvents and other components (e.g., surfactants, biomolecules, organic substances, and inorganic salts). The dependence of phase behavior, thermodynamic properties, intermolecular interactions, microstructures on different factors will be studied systematically by combination of experimental and theoretical methods. The relationship between thermodynamic properties and microstructures, the reasons for the special properties of mixed green solvent systems, and the synergistic properties between different green solvents in the systems will be disclosed. This work will promote the development of chemical thermodynamics and related fields, and will provide scientific foundation for the applications of mixed green solvents in different fields.

超临界流体、离子液体、水是重要的绿色溶剂。不同绿色溶剂构成的混合绿色溶剂具有许多单一绿色溶剂不具备的特性，在萃取分离、化学反应、材料科学等领域有广阔的应用前景。研究混合绿色溶剂复杂体系的化学热力学性质与分子间相互作用是重要的前沿课题，此方面的研究尚处于起步阶段，有许多重要难题有待解决。本项目将设计和筛选一系列具有不同结构特征的混合绿色溶剂（超临界流体/水、超临界流体/离子液体、离子液体/水、超临界流体/水/离子液体等）及其与不同物质（表面活性剂、生物分子、有机物、无机盐等）组成的复杂体系，将实验与理论研究相结合，研究混合绿色溶剂复杂体系的相行为、热力学性质、分子间相互作用和微观结构随不同因素的变化规律，研究宏观热力学性质与微观性质之间的关系，揭示混合绿色溶剂复杂体系的特殊性本质，阐明不同绿色溶剂之间的协同作用规律和机理。推动化学热力学及相关学科的发展，为混合绿色溶剂的应用奠定科学基础。

超临界流体、离子液体、水是重要的绿色溶剂。不同绿色溶剂构成的混合绿色溶剂具有许多单一绿色溶剂不具备的特性，在萃取分离、材料科学、化学反应等领域有广阔的应用前景。本项目设计和筛选一系列具有不同结构特征的混合绿色溶剂及其与不同物质（表面活性剂、生物分子、有机物、无机盐等）组成的复杂体系，将实验与理论研究相结合，研究了混合绿色溶剂复杂体系的相行为、热力学性质、分子间相互作用和微观结构随不同因素的变化规律，以及宏观热力学性质与微观性质之间的关系，研究了绿色溶剂和混合绿色溶剂中材料合成及二氧化碳和生物质转化为重要化学品的化学反应，揭示了混合绿色溶剂复杂体系的特殊性本质，探明了绿色溶剂对材料合成及化学反应的溶剂效应，阐明了不同绿色溶剂之间的协同作用规律和机理。发表SCI收录期刊论文130篇，其中一些文章发表在Angew. Chem. Int. Ed. (15篇), Nat. Commun. (3篇)、Sci. Adv. (2篇) 、J. Am. Chem. Soc. (2篇) 、Chem. Sci. (13篇) 、Green Chem. (17篇) 等重要期刊上；出版学术专著2部；在国际学术会议作邀请报告35次，在国内学术会议作邀请报告61次；申请专利24项。