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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 latest ion-molecule collision model, the ion motion simulation program is programmed under the Simon 7.0 platform to simulate the trajectory of ion movement in the drift tube electric field. The two kinds of drift tube electrode structure, ie uniform electric field and periodic focus electric field (PTR-MS) experiments, the detectable sensitivity of common organic compounds was obtained. The results show that the performance of periodic focused electric field PTR-MS is better than the uniform electric field PTR-MS , The detectable sensitivity increased by 5 ~ 9 times. It shows the advantages in the performance optimization and improvement of the instrument through the theoretical simulation of the ion trajectory, and has great potential for improving the sensitivity of other mass spectrometry instruments.