王俊恬, 任熠, 黄正旭, 陈政阁, 丁力. 轨道阱边缘场效应及其补偿方法的研究[J]. 质谱学报, 2024, 45(2): 237-245. DOI: 10.7538/zpxb.2023.0097
引用本文: 王俊恬, 任熠, 黄正旭, 陈政阁, 丁力. 轨道阱边缘场效应及其补偿方法的研究[J]. 质谱学报, 2024, 45(2): 237-245. DOI: 10.7538/zpxb.2023.0097
WANG Jun-tian, REN Yi, HUANG Zheng-xu, CHEN Zheng-ge, DING Li. Fringing Field Effect of Orbitrap and Its Compensation Method[J]. Journal of Chinese Mass Spectrometry Society, 2024, 45(2): 237-245. DOI: 10.7538/zpxb.2023.0097
Citation: WANG Jun-tian, REN Yi, HUANG Zheng-xu, CHEN Zheng-ge, DING Li. Fringing Field Effect of Orbitrap and Its Compensation Method[J]. Journal of Chinese Mass Spectrometry Society, 2024, 45(2): 237-245. DOI: 10.7538/zpxb.2023.0097

轨道阱边缘场效应及其补偿方法的研究

Fringing Field Effect of Orbitrap and Its Compensation Method

  • 摘要: 静电轨道阱(Orbitrap)自推出以来已被证明是一款强大的离子分析器,其分辨率受电极结构中边缘场的影响。因此,亟需研究由离子入射孔和外电极间隙共同导致的畸变场对分辨率的影响,并提出边缘场效应的解决方法。本实验利用离子光学仿真软件(SIMION)分别建立了理想、畸变和矫正3种结构模型,以测量不同初始轴向振幅和不同轨道半径对应的轴向振动周期分散来衡量轨道阱可以达到的极限分辨率。通过对比理想模型的实验结果与理论结果,验证了仿真参数选取和离子运动计算方法的可靠性;在畸变模型实验中,探究外电极间隙和离子入射孔导致的边缘场效应引起的离子轴向运动周期分散情况,及其对分辨率产生的影响;在矫正模型实验中证明了可以通过调节2个补偿电极的电压来修正畸变场,从而克服离子入射孔和外电极间隙共同产生的边缘场效应,乃至其他缺陷所引起的场畸变问题,仿真得到轨道阱对m/z 100离子的极限质量分辨率可达2 500 000。

     

    Abstract: Since it was introduced, the Orbitrap has been proved to be a powerful ion analyzer whose resolution is affected by the fringing field in the electrode structure. Orbitrap is an ultra-high precision instrument. The gap between two outer half electrodes and the design of ion perforation on one side of the outer electrode will produce fringing field effect, resulting in the distortion of the ideal electrostatic field. The distorted field formed in the internal space of Orbitrap will have a serious impact on the resolution. Thermo Fisher Scientific is the only company that has a patent on Orbitrap mass spectrometers and related technologies, however, it has not provided relevant materials to explain the problem in detail and specific solutions, and few researchers have conducted in-depth research. Therefore, it is necessary to study the influence of the distortion field caused by the ion perforation and the outer electrode gap on the resolution, and propose a solution to the fringing field effect. In this work, ion optical simulation software (SIMION) was used to establish ideal, distorted and corrected models, in order to measure the limiting resolution of the orbital trap by measuring the axial vibration period dispersion corresponding to different initial axial amplitudes and different orbital radius. By comparing the experimental and theoretical results of the ideal model, the reliability of the selection of simulation parameters and the calculation method of ion motion were verified. In the distortion model experiment, the ion axial motion period dispersion caused by the fringing field effect arising from the outer electrode gap and ion perforation and its influence on the resolution was investigated. In the correction model experiment, it was proved that the distortion field can be corrected by adjusting the voltage of the two compensating electrodes, so as to overcome the fringing field effect caused by the ion perforation and the outer electrode gap. In addition, it was also found that the axial flight period error caused by radial dispersion in the corrected model is smaller than that in the ideal model, and the difference between the two is small in the axial dispersion. The comprehensive result of the corrected model is better than that of the ideal model. Therefore, the error caused by scratches on the surface of the electrodes can be corrected by adjusting the voltage of the compensating electrodes. The final simulation results showed that the limiting mass resolution for m/z 100 ion can reach to 2 500 000.

     

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