可逆响应溶剂相变萃取分离过程研究

The selective separation of organic compounds is a critical issue in the research of chemical engineering. In this project, a novel separation technology, the phase change extraction with reversible solvent, is proposed. It is designed to combine traditional solvent extraction technology with reversible solvent, which has special physical-chemistry properties and good designability. In this novel separation process, the properties of solvent, such as polarity, phase state, and hydrophilicity/hydrophobicity, etc, can reversibly response to the addition or the removal of initiator, which would lead to phase change or phase separation in extraction process, then special component can be separated and the reversible solvent could be recovered simultaneously. Furthermore, follow-up operations are not necessary, such as back-extraction, distillation, and so on. Operations of the proposed novel separation technology are not only simple and easy, but also highly efficient. With computational quantum chemistry and molecular simulation, the interaction mechanism of reversible solvent with initiator and organic system will be estimated for designing and preparing the suitably reversible solvent. Effects of physicochemical properties of system, as well as operation conditions, process optimization and mass transfer intensification, on the separation performance will be studied. The thermodynamics and kinetics properties of the process will also be investigated. Furthermore, with group contribution method, the mathematical model of mass transfer behavior in phase change extraction separation technology will be studied. Finally, with self-owned independent intellectual property rights, an environment friendly phase change extraction technology with reversible solvent can be established for the industrial application of organic compound separation.

有机物分离是化工过程的重要研究领域。本项目将具有独特理化性质和良好可设计性的可逆响应溶剂与传统萃取过程相结合，提出了一种新型的可逆响应溶剂相变萃取分离过程，通过弱酸性气体、温度、pH等引发剂的加入或去除所引起的溶剂极性、相态或亲疏水性等性质的可逆转变，使萃取过程中产生分相或相变，从而实现待分离组分的高效分离，以及溶剂的同步回收利用，而无需传统萃取过程中的反萃、精馏等后续步骤，整个过程操作简单，有很高的分离效率。采用量化计算结合分子模拟手段对由阴阳离子或分子组成的可逆响应溶剂进行主动设计与合成制备，系统研究溶剂在特定引发剂下的可逆响应机理、萃取过程的热力学和动力学特性，揭示过程的分离机理，研究物性参数、操作条件等对分离效果的影响，构建基于基团贡献原理的数学模型，并进行分离过程强化的研究。最终期望形成一项具有自主知识产权的绿色高效的可逆响应溶剂相变萃取分离技术，为分离过程的工业应用提供指导。

有机物分离是化工分离领域的重要研究方向，对有机混合物进行绿色高效的分离是实现资源高效利用的重要途径。本项目将具有独特理化性质和良好可设计性的可逆响应溶剂与传统萃取过程相结合，通过弱酸性气体CO2、温度等引发剂的加入与去除所引起的溶剂极性、相态或亲疏水性等性质的可逆转变，使萃取过程中产生分相或相变，从而实现待分离组分的高效分离，提出了一种新型的可逆响应溶剂相变萃取过程，无需传统萃取过程的系列后续处理就可实现待分离组分的高效分离及溶剂的同步回收利用。.项目研究合成制备了以CO2为引发剂的可逆响应溶[DBUH][TFE]、[TMGH][TFE]、[CnDBU]OH（n=2/4/6/8），以及以温度为引发剂的可逆响应溶剂[BPy][FeCl4]，对其结构和性质进行了系统的表征与研究，建立了一种新型的可逆响应溶剂相变萃取分离过程，系统研究了过程机理和理论基础，并基于基团贡献原理进行了模型化和过程强化的研究。研究成果可为有机物等体系的绿色高效的分离过程的工业化应用提供指导与参考。.发表SCI收录学术论文36篇，参加国内外学术交流5次，申请国家发明专利6项，培养博士研究生1名，硕士研究生5名。

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