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基于CFD的电喷雾离子源性能仿真优化

Performance Simulation and Optimization of Electrospray Ion Source Based on CFD
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摘要 电喷雾离子源的离子传输效率制约质谱仪的灵敏度和分辨度,从而影响质谱仪性能。为此,在离子源内部引入牵引电极,通过施加电场力引导离子偏转,使其聚焦并进入采样口,从而提高传输效率。利用CFD仿真,对电喷雾离子源内部的空间电场和离子运动轨迹进行模拟,分析喷针尖端和采样口附近的电势分布及其对离子传输效率的影响,并研究牵引电极形状、尺寸、空间位置和工作电压对离子传输效率的影响,最终得出最优结构和工作参数。最后,将优化后的结构在真实质谱仪上进行测试。结果表明:引入牵引电极后,离子传输效率从10%显著提升至29%;电极改变了空间电势分布,形成了更利于离子聚焦的电场;圆形牵引电极在4000 V时的离子传输效率最高;牵引电极形心与采样口同轴、电极与采样口轴向距离为20 mm、圆形牵引电极直径为20 mm时离子传输效率最优;在相同噪声水平下,优化后1 pg利血平峰高值更高,表明优化后的离子源传输效率更高,证实了仿真结果的可靠性和优化方案的有效性。 The ion transmission efficiency of electrospray ion source restricts the sensitivity and resolution of mass spectrometers,thereby affecting their performance.To this end,a traction electrode was introduced within the ion source.By applying an electric field to guide the ions to deflect,they were focused and allowed to enter the sampling port,thereby improving transmission efficiency.Using CFD simulation,the spatial electric field and ion motion trajectories within the electrospray ion source were simulated.The potential distribution near the needle tip and the sampling port,and its influence on ion transmission efficiency,were analyzed.The effects of the traction electrode′s shape,size,spatial position and operating voltage on ion transmission efficiency were also studied,ultimately the optimal structure and operating parameters were obtained.Finally,the optimized structure was tested on a real mass spectrometer.The results show that after introducting the raction electrode,the ion transmission efficiency has significantly increased from 10%to 29%.The electrode changes the spatial potential distribution,forming an electric field that is more conducive to ion focusing.The ion transport efficiency of the circular traction electrode is the highest at 4000 V.The ion transmission efficiency is optimal when the traction electrode centroid is coaxial with the sampling port,the axial distance between the electrode and the sampling port is 20 mm,and the circular traction electrode diameter is 20 mm.At the same noise level,the optimized 1 pg reserpine peak height is higher,indicating that the optimized ion source has higher transmission efficiency,confirming the reliability of the simulation results and the effectiveness of the optimization scheme.
作者 张艳利 黄栋 张华伟 陈启愉 谭国斌 郝晓曦 ZHANG Yanli;HUANG Dong;ZHANG Huawei;CHEN Qiyu;TAN Guobin;HAO Xiaoxi(School of Mechanical and Automation Engineering,Wuyi University,Jiangmen Guangdong 529020,China;Guangdong Key Laboratory of Modern Control Technology,Institute of Intelligent Manufacturing,Guangdong Academy of Science,Guangzhou Guangdong 510070,China;Guangzhou Hexin Instrument Co.,Ltd.,Guangzhou Guangdong 510535,China)
出处 《机床与液压》 北大核心 2025年第23期222-228,共7页 Machine Tool & Hydraulics
基金 广东省重点研发项目(2022B0303030002) 广州市重点研发计划项目(202206030008) 广东省科学院科技发展项目(2022GDASZH-2022010108)。
关键词 电喷雾离子源 牵引电极 计算流体动力学 离子传输效率 结构优化 electrospray ion source traction electrode computational fluid dynamics ion transport efficiency structural optimization
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