人为源挥发性有机物（VOCs）排放是加重我国大气复合污染的重要成因之一，其中含氮或含氯VOCs环境危害尤其突出。常用销毁技术（如热力燃烧、催化燃烧）处理杂原子VOCs存在二次污染的风险。本项目拟根据二甲基甲酰胺、二甲胺、二氯甲烷的化学结构特征（如含甲基或亚甲基以及分子轨道含π键等），依据氢键或π键络合等吸附原理设计开发对如上VOCs具有高容量和选择性的新型吸附剂；深入研究材料制备条件和吸附操作参数对污染物净化的影响规律；探索VOCs与吸附剂表面相互作用的微观机理。重点研究上述污染物在吸附剂微界面上的吸附构型和分子作用机制，储备吸附剂开发的分子设计案例及方法。项目预期研究成果可为工业废气VOCs的排放控制提供理论依据和方法。

The anthropogenic volatile organic compounds (VOCs) emissions is one of the most important factors causing serious air pollution complex in China, among them the volatile organic nitrogen compounds or chlorinated volatile organic compounds are highly detrimental to our environment. Chemical destory of these volatile pollutants by thermal combustion or catalytic combustion may lead to seconary pollutions. In this study, on the basis of the molecular structure of N,N-dimethylformamide, dimethylamine and dichloromethane (such as all contain methyl or methylene group and π frontier molecular orbital respectively ) , we will design and synthesize new adsorbents with high capacity and selevtivity via adsorption principle of hydrogen bond and π-complexation. The effect of adsorbent preparation and adsorption operation conditions will be addressed in terms of purification of the above pollutants. The interactive mechanism between the above VOCs and the surface of proposal materials will be revealed. Our emphasis will be paid on the molecular configuration and rule of seletivity during adsorption at micro-scale interface, moreover the molecular or electronic mechanism of adsorption will be investigated for storing new cases and method to create new adsorbent by molecule design. This project will be helpful and meaningful to develop new method to remove industial VOCs.