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包含气体湍流的射频离子漏斗的增强模拟

Enhanced simulation of an RF ion funnel including gas turbulence.

作者信息

Tridas Eric, Anthony J Mark, Guldiken Rasim, Schlaf Rudy

机构信息

University of South Florida, Mechanical Engineering Department, Tampa, FL, USA.

出版信息

J Mass Spectrom. 2015 Jan;50(1):206-11. doi: 10.1002/jms.3519.

DOI:10.1002/jms.3519
PMID:25601694
Abstract

Electrodynamic ion funnels are used to enhance the transmission of ions in electrospray-based ion injection systems in 0.1 to 30 Torr pressure range. Jet disrupters are commonly employed to prevent droplets and high pressure jets from entering subsequent vacuum regions. This study presents the simulation and testing of an ion funnel containing a jet disrupter using computational fluid dynamics (CFD) and SIMION ion trajectory simulations. Traditional modeling approaches have utilized approximations for the bulk fluid flow fields without including the time-varying nature of the turbulent flow present in the system, thus yielding idealized results. In this study, the fluid flow fields are calculated using CFD. In an effort to include time dependence, a random velocity vector, whose magnitude is proportional to the square root of the turbulence kinetic energy, was calculated at each time step and added to the velocity of the background gas. These simulations predicted that the transmitted ion current is effectively modulated by the variation of the jet disrupter voltage. The addition of the random velocity vector produced results that closely matched the experiments. The simulations yielded the dependence of the transmission on the jet disrupter voltage, and the voltage necessary for maximum ion throughput was accurately predicted. In addition, the magnitude of the predicted transmission closely matched that of the experimental results. This modeling approach could be extended to similar ion transport and filtering systems in which the effects of turbulent fluid flow cannot be ignored.

摘要

电动离子漏斗用于在0.1至30托的压力范围内增强基于电喷雾的离子注入系统中离子的传输。通常采用射流破坏器来防止液滴和高压射流进入后续的真空区域。本研究使用计算流体动力学(CFD)和SIMION离子轨迹模拟,对包含射流破坏器的离子漏斗进行了模拟和测试。传统的建模方法对整体流体流场采用了近似方法,没有考虑系统中存在的湍流的时变性质,因此得出的是理想化结果。在本研究中,使用CFD计算流体流场。为了考虑时间依赖性,在每个时间步计算一个随机速度矢量,其大小与湍流动能的平方根成正比,并将其添加到背景气体的速度中。这些模拟预测,传输的离子电流会受到射流破坏器电压变化的有效调制。添加随机速度矢量产生的结果与实验结果非常匹配。模拟得出了传输对射流破坏器电压的依赖性,并准确预测了最大离子通量所需的电压。此外,预测的传输幅度与实验结果的幅度非常匹配。这种建模方法可以扩展到湍流流体流动影响不可忽略的类似离子传输和过滤系统。

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引用本文的文献

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Ghost peaks observed after atmospheric pressure matrix-assisted laser desorption/ionization experiments may disclose new ionization mechanism of matrix-assisted hypersonic velocity impact ionization.
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Rapid Commun Mass Spectrom. 2015 Aug 30;29(16):1501-12. doi: 10.1002/rcm.7248.