Ion transfer from an atmospheric pressure ion funnel into a mass spectrometer with different interface options: Simulation-based optimization of ion transmission efficiency.
Ion transfer from an atmospheric pressure ion funnel into a mass spectrometer with different interface options: Simulation-based optimization of ion transmission efficiency.
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DOI：
10.1002/rcm.7451
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发表时间：
2016-02
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影响因子：
--
通讯作者：
Thomas Mayer;H. Borsdorf
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文献类型：
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作者：
Thomas Mayer;H. Borsdorf
基本原理 我们优化了大气压离子漏斗 (APIF)，包括关于最大离子传输的不同接口选项（针孔、毛细管和喷嘴）。以前的计算机模拟考虑了离子漏斗本身，不包括以下组件的几何形状，这些组件会显着影响离子传输到真空阶段。方法 最初，我们的装置的三维计算机辅助设计 (CAD) 模型是使用 Autodesk Inventor 创建的。该模型已导入 Autodesk Simulation CFD 程序，其中计算了计算流体动力学 (CFD)。将流场转移至SIMION 8.1。使用 SIMION 的 SDS（统计扩散模拟）工具进行离子轨迹研究，这使我们能够评估获得的流态、压力和温度值。结果大气压离子漏斗和质谱仪第一真空级之间不同界面的基于模拟的优化需要考虑流体动力学。与毛细管或针孔相比，文丘里喷嘴的使用可确保最高水平的传输效率。然而，射频 (RF) 电压和适当的直流 (DC) 场的应用可实现工艺优化和最大程度的离子转移。喷嘴不会阻碍小离子的传输。结论我们的高分辨率SIMION模型（0.01毫米网格单元（-1））在考虑流体动力学的情况下通常适用于预测通过质谱分析的常压真空系统的离子传输，并能够优化操作参数。插入离子漏斗和质谱仪之间的文丘里喷嘴可实现最大离子传输。版权所有 © 2015 约翰·威利父子有限公司
RATIONALE We optimized an atmospheric pressure ion funnel (APIF) including different interface options (pinhole, capillary, and nozzle) regarding a maximal ion transmission. Previous computer simulations consider the ion funnel itself and do not include the geometry of the following components which can considerably influence the ion transmission into the vacuum stage. METHODS Initially, a three-dimensional computer-aided design (CAD) model of our setup was created using Autodesk Inventor. This model was imported to the Autodesk Simulation CFD program where the computational fluid dynamics (CFD) were calculated. The flow field was transferred to SIMION 8.1. Investigations of ion trajectories were carried out using the SDS (statistical diffusion simulation) tool of SIMION, which allowed us to evaluate the flow regime, pressure, and temperature values that we obtained. RESULTS The simulation-based optimization of different interfaces between an atmospheric pressure ion funnel and the first vacuum stage of a mass spectrometer require the consideration of fluid dynamics. The use of a Venturi nozzle ensures the highest level of transmission efficiency in comparison to capillaries or pinholes. However, the application of radiofrequency (RF) voltage and an appropriate direct current (DC) field leads to process optimization and maximum ion transfer. The nozzle does not hinder the transfer of small ions. CONCLUSIONS Our high-resolution SIMION model (0.01 mm grid unit(-1) ) under consideration of fluid dynamics is generally suitable for predicting the ion transmission through an atmospheric-vacuum system for mass spectrometry and enables the optimization of operational parameters. A Venturi nozzle inserted between the ion funnel and the mass spectrometer permits maximal ion transmission. Copyright © 2015 John Wiley & Sons, Ltd.