计算物理 ›› 2003, Vol. 20 ›› Issue (1): 44-50.

• 论文 • 上一篇    下一篇

离子光学系统简单数值计算方法在反射式飞行时间质谱仪中的应用

胡湛, 金明星, 刘航, 张林林, 丁大军   

  1. 吉林大学原子与分子物理研究所, 吉林 长春 130023
  • 收稿日期:2001-08-02 修回日期:2002-01-25 出版日期:2003-01-25 发布日期:2003-01-25
  • 作者简介:胡湛(1974-),男,安徽,博士生,从事分子激发态动力学方面的研究.
  • 基金资助:
    国家自然科学基金(19925416,19574018)资助项目

Application of a Simple Calculation Method of Ion Optical System to Reflectron Time-of-flight Mass Spectrometer

HU Zhan, JIN Ming-xing, LIU Hang, ZHANG Lin-iin, DING Da-jun   

  1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130023, China
  • Received:2001-08-02 Revised:2002-01-25 Online:2003-01-25 Published:2003-01-25

摘要: 简要阐述了求解离子光学系统电场结构分布以及带电粒子在该电场中运行轨迹的通用数值计算方法,分析了在保证计算精度的前提下,节省磁盘空间、提高计算速度的PC级计算机上优化算法,并提出一种寻找最佳超松弛因子的可行性方法.在PC级计算机上应用该计算方法对一台无栅网结构高分辨率反射式飞行时间质谱仪进行计算,给出了电场分布、粒子飞行轨迹和设定各种不同条件对电场进行优化的结果.根据计算结果调整的反射式飞行时间质谱仪达到了其优化工作状态,所测得的质谱分辨率显著提高.

关键词: 离子光学, 数值求解, 反射式飞行时间质谱仪

Abstract: A simple method to calculate electrostatic fields of ion optical system and trajectories of ions in the field is discussed.The optimization methods to save disk space and accelerate the calculation process are given under condition of maintaining the calculation precision.A feasible method for searching the over-relaxation factor is present.The calculation method is applied to the calculation of a design of gridless high-resolution reflectron time-of-flight mass spectrometer.The results of the distribution of electrostatic fields,the ion trajectories and the best conditions of the fields are present.The system is adjusted to its fairly good working condition based upon these results,and mass spectra with much higher resolution are observed.

Key words: ion optics, numerical solution, reflectron time-of-flight mass spectrometer

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