离子阱质谱中离子轨迹算法研究

Study of the Simulation Method about Ion Trajectory

  • 摘要: 高精度数值仿真算法是研究离子阱中离子的运动特征、仿真设计与优化离子阱质谱仪器的关键。本研究探讨了2种基于四阶、五阶龙格-库塔算法的数值方法,求解离子在离子阱内的运动方程——Mathieu方程。通过Matlab编程进行离子轨迹仿真实验,计算精度、初值、时间步长等因素对计算结果的影响。结果表明,五阶龙格-库塔算法可以满足离子阱的仿真要求,能实现高精度离子轨迹计算。

     

    Abstract: A high precision numerical simulation algorithm is the key of simulation design, which is a powerful tool to study the characteristics of the movement of ions in ion trap and the optimization of ion trap mass spectrometer. Two numerical methods based on fourth order and fifth-order Runge-Kutta algorithm to solve Mathieu equation were discussed. By using the Matrix Laboratory (Matlab) programming, the research studied the impacts of different parameters, such as calculation accuracy, initial value of position and time step, on the calculation results of ion trajectories. The results show that the fifth order Runge-Kutta algorithm can meet the requirements of simulation and achieve high precision ion trajectory simulation.

     

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