面向海洋应用的低真空质谱仪操作模式研究

Low-Vacuum Quadrupole Mass Spectrometry for Marine Applications

  • 摘要: 为使质谱仪能够在低真空环境下进行质量分析,扩展其在海洋科学领域的应用,研究了适用于低真空环境的质量分析操作模式。针对圆柱形离子阱质量分析器,在COMSOL Multiphysics中基于Langevin碰撞理论搭建了低真空环境离子运动仿真平台。利用该平台模拟了不同低真空条件下,射频电压频率、射频电压零峰值、离子阱尺寸等参数对质谱仪分辨率和灵敏度的影响。结果表明,增大射频电压频率、减小离子阱尺寸等操作模式可适用于低真空环境质量分析。

     

    Abstract: Performing mass spectrometry (MS) in a low-vacuum environment not only substantially reduces the cost, size, weight and power of the instrument but also expands its applicability, making it is more suitable for field applications such as marine applications. As it is a complicated instrument, simulation is a critical step in the development process of a mass spectrometer. The Langevin collision model describes the interaction between low-energy particles. By introducing the Langevin collision theory to the simulation of low-vacuum ion motion, the movement of discrete ions can be more accurately described and the influence of different operational models on the performance of MS can be evaluated. Based on Langevin collision model, a low-vacuum simulation platform of cylindrical ion trap (CIT) was built in COMSOL Multiphysics. The influence of frequency of the radio frequency (RF) voltage V, amplitude of the radio frequency (RF) voltage ω and size of the ion trap r0 on the sensitivity and resolution of MS were investigated. The simulation results showed that by applying a high-frequency RF voltage, a spectral peak with a narrower width and a larger signal strength could be obtained and thus higher sensitivity and resolution were obtained. This is because when the frequency of the RF voltage is enhanced, the ion acquires more energy from the quadrupole within a unit time, which increases the moving velocity and enhances the collisional capability of the ions. When ω increases, in order to keep Mathieu parameter q unchanged, V must be increased with the square of ω or decrease r0 proportionally. The value of V is determined by the electric circuit, and it is very difficult to increase it significantly. Moreover, a high voltage can cause discharge. Therefore, from this perspective, in order to use a larger RF frequency ω, the size of the ion trap r0 must be reduced. Thus, it is concluded that by increasing the frequency of the radio frequency voltage while reducing the size of the ion trap, mass analysis can be conducted under a low vacuum. Additionally, the results was applied to experiments and obtained excellent spectral graphs of organic compounds under a maximum pressure of 2 Pa in another paper, which proved the effectiveness of the conclusions obtained from the simulation.

     

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