Density functional theory calculations for improving the chemical selectivity of explosives detection

提高爆炸物检测化学选择性的密度泛函理论计算

• 批准号: 470032-2014
• 负责人: Hopkinson, Alan
• 金额: $ 1.82万
• 依托单位: York University
• 依托单位国家: 加拿大
• 项目类别: Engage Grants Program
• 财政年份: 2014
• 资助国家: 加拿大
• 起止时间: 2014-01-01 至 2015-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=563919
• 关键词: Density; functional; theory; calculations; improving

Continuing security threats together with more stringent requirements from major regulatory bodies is driving the need for rapid, sensitive and selective detection of explosives at ports and borders. Smiths Detection, a world-leading designer and manufacturer of analytical instrumentation for detecting and identifying explosives, primarily employs analysis of charged gas-phase compounds using ion-mobility spectrometry, mass spectrometry or a combination of these techniques. An essential element in explosives analysis is the selectivity of the technique employed.

持续的安全威胁加上主要监管机构更严格的要求，促使需要在港口和边境对爆炸物进行快速、灵敏和有选择的检测。Smiths Detection是世界领先的爆炸物检测和识别分析仪器的设计和制造商，主要采用离子迁移谱、质谱或这些技术的组合来分析带电气相化合物。炸药分析的一个基本要素是所用技术的选择性。