借助于聚合物聚集态结构的调控制备高性能气体分离炭膜

Membrane material is the core of membrane separation technology. The research of novel membrane materials with high-performance will play an important role in solving the problems of water resources, energy and environment, which human beings are facing. The core of this project is to select or synthesize some thermoplastic polymers with high free volume by designing the structure design for preparing carbon membranes with high gas separation performance. The evolution of polymer aggregation structure during heat treatment process will be studied. The effects of parameters of heat treatment process on the structure and aggregates state will be studied. The influences of the change in aggregation structure on pore structure, carbon structure and gas separation performance of prepared carbon membrane and its structure-activity relationship will be also analyzed. The evolution of chemical structure and spatial configuration of heat treatment membrane during pyrolysis process will be studied. The formation mechanism of pore structure and carbon structure and internal relationship between structure and performance of carbon membrane will be explored. Effect of aggregation structure change on the permeation and diffusion of gas molecules through the heat treated membrane and carbon membrane pore will be investigated. By designing and optimizing the process and parameters of heat treatment, the aggregation structure of thermoplastic polymers will be accurately regulated; and the ultra-micro porous structure of carbon membrane with high gas permeation will be constructed. As a result, the carbon membrane with high gas permeability and high gas selectivity will be prepared. The implementation of this project will form a novel and rational method and technology for the preparation of thermoplastic polymers based carbon membranes with high performance. And the industrialization and application process of carbon membrane will be promoted.

膜材料是膜分离技术核心，研究新型高性能膜材料对解决人类所面临的水资源、能源、环境问题具有极其重要的推动作用。本课题的核心是从结构设计出发，选择或合成一些具有高自由体积的热塑性聚合物制备高性能气体分离炭膜。研究在热处理过程中聚合物聚集态结构的演变及规律；热处理工艺对聚集态结构及状态的影响；聚集态结构的改变对所制备炭膜孔结构，炭结构及气体分离性能的影响及构效关系。研究热处理膜在热解过程中化学结构与空间构型的演变及规律；孔结构、炭结构形成机理及与炭膜气体分离性能的内在联系与构效关系。研究聚集态结构的改变对气体在热处理膜、炭膜极微孔道中渗透扩散的影响。通过对热处理工艺及参数的优化设计，精细调控热塑性聚合物的聚集态结构，构建具有高渗透性炭膜极微孔道结构，制备出具有高渗透性、高分离选择性的气体分离炭膜。本课题的实施将形成由热塑性聚合物制备高性能炭膜的新方法和技术，推动炭膜产业化与应用进程。

本课题从结构设计出发，选择或合成了具有高自由体积的多种热塑性聚芳醚酮和聚酰亚胺，并以此作为前驱体制备炭分子筛膜（炭膜），研究了在热处理过程中聚集态结构的演变过程及规律；热处理工艺参数对聚集态结构及状态的影响规律；聚集态结构的改变对所制备炭膜的孔结构，炭结构及其气体分离性能的影响规律及构效关系。在此基础上，结合反应分子动力学模拟研究了炭膜前驱体聚合物在热解过程中化学结构和微结构的变化和规律，揭示了炭膜的结构形成机制，炭膜形成过程与气体分离性能的关系。进一步研究了不同聚合物前驱体结构特性对于所制备炭膜结构和性能的影响，通过优化前驱体结构构筑了具有高渗透性的炭膜孔道体系，并且优化了制膜工艺，实现对炭膜孔道尺度的调控，使炭膜展现出优异的气体渗透分离性能。基于膜材料结构化学特性，构建了炭膜的三维原子模型，实现了对炭膜孔道结构的微观成像，对不同气体在炭膜孔道中的吸附扩散过程进行了分子模拟研究，揭示了气体分子在炭膜孔道中的吸附、扩散性能。最终通过对热处理工艺及参数的优化设计，精细调控了热塑性聚合物的聚集态结构，构建了具有高渗透性炭膜极微孔道结构，制备出具有高渗透性、高分离选择性的气体分离炭膜。通过本课题的实施，形成了由热塑性聚合物制备高性能炭膜的新方法和技术，推动炭膜产业化与应用进程。

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