Multiparticle Simulations of Quadrupolar Ion Detection in an Ion Cyclotron Resonance Cell with Four Narrow Aperture Detection Electrodes

Multiparticle Simulations of Quadrupolar Ion Detection in an Ion Cyclotron Resonance Cell with Four Narrow Aperture Detection Electrodes
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具有四个窄孔径检测电极的离子回旋共振池中四极离子检测的多粒子模拟

DOI:
10.1007/s13361-017-1817-6
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发表时间:
2018
影响因子:
3.2
通讯作者:
Amster, I. Jonathan
Amster, I. Jonathan
中科院分区:
化学3区
文献类型:
--
作者:
Driver, Joshua A.;Nagornov, Konstantin O.;Kozhinov, Anton N.;Tsybin, Yury O.;Kharchenko, Andriy;Amster, I. Jonathan

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FT-ICR 池设计的当前范例是尽可能接近理想的三维二次捕获电势,以保持离子云空间相干性并实现长瞬态,无论是使用双曲线形状的电极、匀场电极还是通过动态协调。与此形成鲜明对比的是,具有四个窄孔径检测电极 (NADEL) 的 FT-ICR 分析仪单元向捕获电势引入了显着的非谐波项。该分析仪单元能够进行四极检测,通过四极检测可以测量接近未受扰动的回旋加速器频率的信号。与传统 ICR 单元中测量的降低的回旋加速器频率相比,这对捕获电势和空间电荷转移的敏感度要低得多。 NADEL 单元中离子检测的四极模式之前已通过离子云的 SIMION 模拟(每次模拟最多 500 个离子)进行了检查。在这里,NADEL 分析仪单元的行为通过细胞内粒子 (PIC) 模拟进行检查,这使我们能够在考虑空间电荷的情况下检查大量(数万)离子的行为,并计算 NADEL 检测电极上的感应电荷,从而计算瞬态信号。 PIC 模拟证实了离子的独特空间分布,其相干运动会产生长瞬态信号。检查离子云和图像电流信号对电池设计、离子能量和磁控管半径的依赖性。将聚结效应与动态协调细胞中发现的聚结效应进行比较。通过模拟和实验证明了测量的回旋加速器频率对空间电荷的不敏感性。
The current paradigm in FT-ICR cell design is to approximate the ideal three-dimensional quadratic trapping potential as closely as possible to maintain ion cloud spatial coherence and achieve long transients, either with hyperbolically shaped electrodes, shimming electrodes, or by dynamic harmonization. In sharp contrast, the FT-ICR analyzer cell with four narrow aperture detection electrodes (NADEL) introduces significant anharmonic terms to the trapping potential. This analyzer cell is capable of quadrupolar detection by which one can measure a signal that is close to the unperturbed cyclotron frequency. This is far less sensitive to trapping potential and space charge shifts than the reduced cyclotron frequency measured in conventional ICR cells. The quadrupolar mode of ion detection in NADEL cells has been examined previously by SIMION simulations of ion clouds with up to 500 ions per simulation. Here, the behavior of the NADEL analyzer cell is examined through particle-in-cell (PIC) simulations, which allows us to examine the behavior of large populations (tens of thousands) of ions with space charge considerations, and to calculate the induced charge on the NADEL detection electrodes, and thus the transient signal. PIC simulations confirm a unique spatial distribution of the ions, with a coherent motion that results in long transient signals. Dependence of the ion cloud and image current signal on cell design, ion energy, and magnetron radius are examined. Coalescence effects are compared with those found in a dynamically harmonized cell. The insensitivity of the measured cyclotron frequency to space-charge is demonstrated both with simulations and experimentally.
DOI: --
发表时间: 1992
期刊:
影响因子: --
作者:
S. Guan;M. V. Gorshkov;A. Marshall
通讯作者: A. Marshall
DOI: 10.1016/j.jasms.2009.10.001
发表时间: 2010-02
影响因子: 3.2
作者:
Leach FE 3rd;Kharchenko A;Heeren RM;Nikolaev E;Amster IJ
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非二次捕获势中的回旋加速器相位相干离子空间色散是回旋加速器频率下 FT-ICR MS 的原因
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用于傅里叶变换离子回旋共振质谱分析的具有窄孔径检测电极的离子阱
DOI: --
发表时间: 2015
影响因子: 3.2
作者:
K. Nagornov;Anton N. Kozhinov;O. Tsybin;Y. O. Tsybin
通讯作者: Y. O. Tsybin
通过离子云运动的计算机建模计算傅里叶变换离子回旋加速器共振质量分辨率和动态范围限制
DOI: --
发表时间: 2012
影响因子: 3.2
作者:
G. Vladimirov;C. Hendrickson;G. T. Blakney;A. Marshall;R. Heeren;E. Nikolaev
通讯作者: E. Nikolaev