小型四极杆质谱仪性能仿真系统研究
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1.西安交通大学自动化科学与工程学院西安710049; 2.中国航天员科研训练中心北京100094; 3.人因工程全国重点实验室北京100094)

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TH743

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Research on the performance simulation system for miniature quadrupole mass spectrometers
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1.School of Automation Science and Engineering, Xi′an Jiaotong University, Xi′an 710049, China; 2.China Astronaut Research and Training Centre, Beijing 100094, China; 3.National Key Laboratory of Human Factors Engineering, Beijing 100094, China

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    摘要:

    针对小型四极杆质谱仪研制中工程约束条件多、技术迭代代价高、研制周期长等问题,为满足特殊场景对仪器小体积、轻重量、低功耗、长寿命及高可靠性的严苛要求,在系统分析产品特性和工程研制难点的基础上,建立了涵盖电离、传输、筛选、检测全过程的四极杆质谱仪物理模型和数学表达,并基于Lua语言集成开发了四极杆质谱仪性能仿真系统。该系统实现了温度场、流体场、真空场与电磁场的耦合计算,集成了离子全生命周期轨迹追踪、参数批量处理等12项核心功能,显著提升了工程适用性。通过批量化仿真,系统研究了EI源透镜出口孔径(1.5~3.5 mm)、EI 源伸入QMA深度(-0.5~0.5 mm)及进样速率(0~1 mL/min)3项关键工程参数对仪器性能的影响,确定了各参数最优的取值范围。仿真结果表明:透镜出口孔径为3.0 mm时离子传输效率最高;EI源伸入深度为0.2 mm时可有效抑制边缘场效应,使离子束空间分布更集中;进样速率在0.3 mL/min时能在保证高信号强度的同时维持系统真空度。搭建实验平台验证了仿真系统的有效性,优化后质谱仪质量覆盖范围为 m/z 10~180,对全氟三丁胺(PFTBA)的检测信噪比(signal to noise ratio, SNR)优异,性能满足设计要求。该性能仿真系统为小型四极杆质谱仪研发提供了关键技术支撑。

    Abstract:

    To address problems of multiple engineering constraints, high technical iteration cost, and prolonged development cycle in the development of miniature quadrupole mass spectrometers, and meet the stringent requirements of compact size, light weight, low power consumption, long service life, and high reliability in special scenarios, a physical model and corresponding mathematical expressions for the quadrupole mass spectrometer are established based on a comprehensive analysis of product characteristics and engineering difficulties. An independent performance simulation system for quadrupole mass spectrometers is developed using the Lua language. The system achieves the coupled calculation of temperature field, fluid field, vacuum field, and electromagnetic field, and integrates 12 core functions, including ion full-life-cycle trajectory tracking and batch parameter processing, thereby enhancing engineering applicability. Furthermore, batch simulations are implemented to systematically investigate the effects of three key engineering parameters on instrument performance, i.e., the exit aperture of the EI source lens (1.5~3.5 mm), the insertion depth of the EI source into the QMA (-0.5~0.5 mm), and the sample injection rate (0~1 mL/min). The optimal value range of each parameter is determined. Simulation results show that the ion transmission efficiency reaches the maximum when the lens exit aperture is 3.0 mm; the edge field effect can be effectively suppressed with the EI source insertion depth of 0.2 mm, leading to a more concentrated spatial distribution of the ion beam. The system vacuum degree can be maintained while ensuring high signal intensity when the sample injection rate is 0.3 mL/min. An experimental platform is constructed to verify the effectiveness of the proposed simulation system. The optimized mass spectrometer has a mass range of m/z 10~180, exhibits excellent signal-to-noise ratio (SNR) in the detection of perfluorotributylamine(PFTBA), and its overall performance meets the design requirements. The developed performance simulation system provides key technical support for the precise research and development of miniature quadrupole mass spectrometers.

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周文兴,黄刚,蔡红华,董文平,杨清宇.小型四极杆质谱仪性能仿真系统研究[J].仪器仪表学报,2026,47(1):171-180

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  • 在线发布日期: 2026-03-30
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