两种电场结构下离子运动轨迹模拟与实验对比研究  

The ion trajectory simulation and experimental research on two kinds of electric field structures

作　　者：王玉杰[1,2] 沈成银[1] 储焰南[1] 

机构地区：[1]中国科学院合肥物质科学研究院医学物理与技术中心,合肥230031 [2]滁州学院机械与电子工程学院,滁州239000

出　　处：《原子与分子物理学报》2013年第3期502-506,共5页Journal of Atomic and Molecular Physics

基　　金：中国科学院知识创新工程重要方向项目(KGCX2-YW-917);国家自然科学基金(21107112);安徽省自然科学基金(11040606Q60);中国科学院仪器研制(Y2005015);滁州学院科研启动基金(2012qd10)

摘　　要：结合最新的离子与分子碰撞模型,编写在Simon 7.0平台下的离子运动模拟程序,实现了在漂移管电场中离子运动轨迹的模拟,开展在两种漂移管电极结构即均匀电场和周期性聚焦电场下离子的运动轨迹模拟与质子转移反应质谱(PTR-MS)实验检测对比研究,得到了常见有机物的可探测灵敏度,发现周期性聚焦电场PTR-MS的性能总体上要比均匀电场PTR-MS好,可探测灵敏度增加了5～9倍,显示了通过对离子运动轨迹的理论模拟在仪器性能优化与改进上的优势,同时该方法具有用于提高其他质谱检测仪器灵敏度的巨大潜力.According to the new ion-molecule collision algorithm, the ion motion simulation program ap- plied on Simion 7.0 was compiled and the ion trajectories in drift tube were simulated. And two kinds of drift tube electrode structures, which were uniform electric field and periodic focusing electric field ion trajectory simulation, were theoretically and experimentally studied. Based on the ion trajectory simula- tion, a newly drift tube with the periodic focusing electric field was designed and it was firstly utilized to detect common organic compounds. And it is found that the detectable sensitivities of PTR-MS with the periodic focusing electric field are 5 to 9 times higher than those with homogeneous electric field, which shows that it＇s a great advantage to use the ion trajectory simulation for the optimization and improve- ment of instrument performance. And it is very promising to become a powerful tool to improve the sen- sitivity of other mass spectrometry.

关 键 词：离子与分子碰撞模型 电极结构 质子转移反应质谱 灵敏度 

分 类 号：O561.5[理学—原子与分子物理]