硝胺类炸药可见光诱化降解机理研究

项目名称： 硝胺类炸药可见光诱化降解机理研究

项目编号： No.11502250

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 陈玲

作者单位： 中国工程物理研究院化工材料研究所

项目金额： 25万元

中文摘要： 以RDX和HMX为代表的硝胺类炸药具有一定的毒性且在自然环境中难以降解，直接排放会带来严重的污染，因此需发展适用于硝胺类炸药销毁的绿色环保技术。TiO2光催化氧化技术作为近年来发展起来的环境治理新技术，为炸药安全销毁提供了一种可能途径，但硝胺炸药在可见光诱导下的降解机理还不清楚。本项目拟采用在线红外反应平台，气相色谱-质谱联用仪以及高效液相色谱仪等先进检测设备检测HMX和RDX等硝胺类爆炸物在TiO2可见光催化作用下的降解产物，推测降解路径；同时采用分子模拟考察硝胺炸药分子在氧化作用下失去电子、发生降解反应的起始位点以及在催化剂表面的吸附部位，验证试验推测的降解路径，获得硝胺类炸药在TiO2可见光诱导下的降解机理。本项目研究成果可以为硝胺炸药的绿色安全销毁提供基本的技术支撑。

中文关键词： 硝胺炸药；可见光；降解机理

英文摘要： Nitroamine explosives such as RDX and HMX are toxic substances and hard to degradation in the natural environment. It is necessary to develop green environmental technology applicable for the disposal of nitroamine explosives since their emissions would bring serious pollution. As a new environmental governance technology developed in recent years, TiO2 photocatalysis oxidation technology provides a possible way for the disposal of explosive. However, the degradation mechanism of nitroamine explosives under visible light induced is not clear yet. In this work, the degradation pathway of photocatalysis nitroamine explosive in TiO2 will be proposed upon identified intermediates by online infrared response platform, gas chromatography - mass spectrometry, high performance liquid chromatograph and other advanced technology. The starting sites of degradation reaction and the adsorption site on the catalyst surface will be calculated by molecular simulation. The degradation mechanism of nitroamine explosives in TiO2 under visible light will be deduced from the results of experiment and calculation. Our research will be useful for the disposal of explosives.

英文关键词： nitroamine explosives;visible light ;degradation mechanism