Mayer Thomas, Borsdorf Helko
UFZ - Helmholtz Centre for Environmental Research Leipzig-Halle, Department Monitoring and Exploration Technologies, Permoserstraße 15, D-4318, Leipzig, Germany.
Rapid Commun Mass Spectrom. 2016 Feb 15;30(3):372-8. doi: 10.1002/rcm.7451.
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.
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.
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.
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.
我们优化了一种大气压离子漏斗（APIF），针对最大离子传输率考量了不同的接口选项（针孔、毛细管和喷嘴）。先前的计算机模拟仅考虑离子漏斗本身，未纳入后续组件的几何结构，而这些组件的几何结构会对离子传输至真空阶段产生显著影响。
首先，使用欧特克 Inventor 创建了我们实验装置的三维计算机辅助设计（CAD）模型。该模型被导入到欧特克模拟CFD程序中，在那里计算流体动力学（CFD）。流场被传输到 SIMION 8.1。使用 SIMION 的 SDS（统计扩散模拟）工具对离子轨迹进行研究，这使我们能够评估所获得的流态、压力和温度值。
基于模拟对大气压离子漏斗与质谱仪第一真空阶段之间不同接口进行优化时，需要考虑流体动力学。与毛细管或针孔相比，使用文丘里喷嘴可确保最高水平的传输效率。然而，施加射频（RF）电压和适当的直流（DC）场可实现工艺优化和最大离子转移。该喷嘴不会阻碍小离子的转移。
我们考虑流体动力学的高分辨率 SIMION 模型（0.01 mm 网格单元(-1)）通常适用于预测通过用于质谱分析的常压 - 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 约翰威立父子有限公司。
