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首页> 外文期刊>Journal of mass spectrometry: JMS >Modelling mass analyzer performance with fields determined using the boundary element method
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Modelling mass analyzer performance with fields determined using the boundary element method

机译：使用边界元方法确定的场对质量分析仪的性能进行建模

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摘要

Computer modelling is widely used in the design of mass analysers to evaluate proposed designs and determine the effects of manufacturing imperfections. For quadrupole mass filters and ion traps, the models require accurate values of the electric field throughout the regions of the analyser in which ions travel. Most published results using models to predict mass analyser behaviour use electric fields computed with finite element (FE) or finite difference (FD) method. However, the boundary element method (BEM) is capable of achieving the same, or higher, accuracy with both computation times and memory requirements that are at least an order of magnitude less than those required by FE and FD methods. In this paper, electric field evaluation is performed using the BEM formulated in a manner described by previous workers; modifications to their method are described, which lead to higher accuracy field values. Simultaneous equation solution techniques are incorporated, which avoid solutions that are physically not realistic. The performance of linear quadrupole mass spectrometers with hyperbolic, circular and planar section electrodes has been determined using fields computed using these methods and compared with previous results obtained by alternative field computation techniques and with experiment. Behaviour of an ion trap mass spectrometer with circular symmetry has also been investigated. The results demonstrate that in each case using the BEM to determine the fields produces the observed behaviour.
机译：在质量分析器的设计中广泛使用计算机建模来评估建议的设计并确定制造缺陷的影响。对于四极质量过滤器和离子阱，模型需要在分析仪中离子传播的整个区域中准确的电场值。使用模型预测质量分析仪行为的大多数已发布结果均使用通过有限元（FE）或有限差分（FD）方法计算的电场。但是，边界元素方法（BEM）能够以比FE和FD方法所需的计算时间和内存要求小至少一个数量级的方式达到相同或更高的精度。在本文中，使用以先前工作人员描述的方式配制的BEM进行电场评估。描述了对其方法的修改，这导致更高的精度字段值。包含了联立方程求解技术，可以避免物理上不现实的求解。具有使用双曲线，圆形和平面截面电极的线性四极质谱仪的性能已通过使用使用这些方法计算的场来确定，并与通过替代场计算技术获得的先前结果和实验进行了比较。还研究了具有圆形对称性的离子阱质谱仪的行为。结果表明，在每种情况下，使用BEM来确定字段都会产生观察到的行为。

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