易挥发有机污染物（VOCs）的控制排放是我国大气环境治理至关重要的环节之一。本项目针对易挥发有机废弃物膜分离过程中混合基质膜材料的结构调控和强化分离机制，采用实验与计算机分子模拟相结合的方法，从研究纳米多孔颗粒、聚合物、VOCs之间相互作用出发，揭示混合基质膜中添加物/聚合物两相界面和纳米多孔添加物的吸附作用对膜分离性能的影响；定量分析VOCs分子在混合基质膜中各相的传质阻力，构建混合基质膜“溶解-吸附-扩散”渗透传递耦合的新模型；在模型分析基础上设计合成具有协同强化作用的混合基质膜，实现VOCs污染物的高效分离；为化工膜分离材料的设计和制备提供新思路和科学依据。

Removal and recovery of volatile organic compounds (VOCs) is one of the most important concerns in China. In this project, we will focus on the issues of the structure optimization and the facilitation mechanism of Mixed Matrix Membranes (MMMs) in the separation of VOCs. Combining the experimental and molecular simulation methods, we will explore molecular interactions among nanoporous fillers, polymers, and VOCs. Based on this, we will investigate the effects of the interfacial structure of nanoporous filler/polymer and the adsorption properties of nanoporous fillers on the separation performance of MMMs for VOCs; analyze quantitatively the mass transfer resistance of each phase in MMMs; construct the facilitated transport mechanism of “dissolve-adsorption-diffusion” model; select suitable nanoporous fillers to design and fabricate MMMs with enhanced VOCs separation properties. Through the systematical investigations, we hope to provide basic data and general rules for designing and fabrication MMMs to improve membrane separation technology.