线形离子阱的装配误差仿真计算研究

Simulation and Calculation of Assembly Error of Linear Ion Trap

  • 摘要: 离子阱质量分析器作为便携式质谱仪的核心部分,相当于“发动机”,其决定了质谱仪的分析能力。离子阱质量分析器需要很高的加工和组装精度。然而,在离子阱质量分析器的实际加工和装配过程中会不可避免地存在一定的误差,这些误差会引入一些成分的高阶场,造成质量分析器的分析性能下降。本文探讨了在质量分辨率较为稳定时,离子阱质量分析器允许的最大装配误差。在双曲面线形离子阱结构的基础上,通过优化离子出射方向上x电极的拉伸距离Δrx,引入合理的高阶电场,以提高离子阱的分辨率。利用SIMION软件对离子阱进行建模、借助PAN33软件分析双曲面线形离子阱的内部电场分布、使用AXSIM软件模拟离子运动轨迹及质谱图。结果表明,在Δrx=0.9 mm时,通过优化交流电压(AC)幅值、频率等参数,双曲面线形离子阱在m/z 609处的质量分辨率达到最佳,为3 958。然后,讨论了xyxy方向的3种装配误差情况,每个误差变量的步长为0.01 mm(10 μm),依次开展仿真研究。当 xyxy方向的装配误差分别小于0.06、0.06、0.04 mm 时,分辨率较稳定,可为后续的实际装配误差提供参考。

     

    Abstract: As the core part of the portable mass spectrometers, the ion trap mass analyzer is equivalent to the "engine", which determines the analytical capability of the mass spectrometer. Ion trap mass analyzers require a high degree of precision in both machining and assembly. However, there will inevitably be certain errors in the actual machining and assembly processes of the ion trap, which introduce the high-order field of some components and affect the analytical performance of the ion trap mass analyzer, thereby causing the analytical performance of the mass spectrometer to deteriorate. In this paper, when the mass resolution remained stable, the tolerated maximum assembly error for a ion trap mass analyzer was discussed. On the basis of the hyperboloid linear ion trap structure, the resolution of the ion trap was improved by optimizing the tensile distance Δrx of the x electrode in the ion exit direction, and a reasonable high-order electric field was introduced. The ion trap was modeled by SIMION software, PAN33 software was used to analyze the internal electric field distribution of a hyperboloid linear ion trap, and AXSIM software was used to simulate ion motion trajectories and mass spectra. The results showed that when Δrx is 0.9 mm, by optimizing parameters such as the alternating voltage (AC) amplitude and frequency, the best mass resolution of the hyperboloid linear ion trap reach 3 958 at m/z 609. Then, three cases of assembly error in the x, y and xy directions were discussed, and the step size of each error variable was 0.01 mm (10 microns), and the simulation studies were successively given. When the assembly error in the x, y and xy directions are less than 0.06, 0.06, 0.04 mm, respectively, the resolution is relatively stable, which can provide a reference for the subsequent actual assembly error.

     

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