常压下配备强电场碎裂单元的串联离子迁移谱研制与爆炸物检测

Development of Tandem Ion Mobility Spectrometry with High-Voltage Fragmentation Unit at Atmospheric Pressure for Explosives Detection

  • 摘要: 痕量爆炸物探测是保障公共安全的重要一环。离子迁移谱是探测爆炸物和与爆炸物有关化合物的有效技术手段。然而,在实际使用中,受限于离子迁移谱较低的分辨率,易产生假阳性结果。类似于质谱中的碰撞诱导解离(CID),爆炸物在常压下可以通过射频强电场解离成碎片离子。本工作研制了双离子门结构的串联离子迁移谱,以硝酸铵(AN)、环三亚甲基三硝胺(RDX)、季戊四醇四硝酸酯(PETN)3种爆炸物为代表物质,在常压下获得3种爆炸物及其掺杂产物的一级迁移谱图,根据其迁移谱可以分离母离子,再经强电场碎裂后得到二级碎片离子。在常压170 ℃、频率2.6 MHz、峰值900 V的电压下,AN母离子的解离率可达95%;在频率2.6 MHz、峰值1 500 V的电压下,RDX产物离子RDX+NO2以及掺杂C2Cl6的RDX产物离子RDX+Cl的解离率分别为93%和15%;PETN+NO3和PETN+Cl的解离率分别为54%和48%。离子的碎裂程度主要受离子结构特性的影响,而电场和温度的升高会进一步促进其碎裂。二级碎片离子和母离子漂移时间相结合为爆炸物检测提供了丰富的化学信息,有望降低检爆仪的假阳性率。

     

    Abstract: Trace explosive detection is an essential aspect for ensuring public safety. Ion mobility spectrometry (IMS) is an effective technique for detecting explosives and compounds related to explosives. IMS technique operating at atmospheric pressure has numerous advantages, including simple structure, clear spectra, high sensitivity, and fast analysis speed, making it widely applied in fields such as on-site detection of explosives. However, the limitations of traditional ion mobility spectra lie in their low resolution and lack of fine structural information, making it difficult to differentiate ions with similar mobility, which can easily lead to false positive results. To address this issue, referencing collision-induced dissociation (CID) in mass spectrometry, explosives can be similarly dissociated under atmospheric pressure through radio frequency strong electric fields. This process generates rich secondary fragment ions, conferring mobility spectra with structural information of the analyte. Through simulation studies of the electric field of the drift tube and optimization of several structural parameters of the fragmentation grid, a tandem ion mobility spectrometry with a dual ion gate structure was developed. By changing the switch status of the ion gate and fragmentation grid, this system is capable of selecting specific parent mobility ions for fragmentation under ambient pressure. Three representative substances, ammonium nitrate (AN), cyclotrimethylene trinitramine (RDX), and pentaerythritol tetranitrate (PETN), along with their dopants, were used to obtain primary mobility spectra of explosives under atmospheric pressure. Based on their mobility spectra, parent ions were separated and then subjected to strong electric field fragmentation to acquire secondary fragment ions. Under the conditions of 170 ℃ and atmospheric pressure, AN achieves a dissociation rate of 95% for the parent ion at a frequency of 2.6 MHz and a peak voltage of 900 V. The dissociation rates for the product ions RDX+NO2 of RDX and product ions RDX+Cl of RDX doped with C2Cl6 are 93% and 15% at a frequency of 2.6 MHz and a peak voltage of 1 500 V, respectively. The dissociation rates for PETN+NO3 and PETN+Cl are 54% and 48%, respectively. The degree of ion fragmentation is mainly influenced by the structural characteristics of the parent ions, while increasing the electric field and temperature further promote their fragmentation. Although introducing radio frequency electric fields may result in a certain degree of ion loss, the combination of secondary fragments and parent ion drift times provides additional chemical information for explosive detection, potentially reducing false positives in detection of explosive.

     

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