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Poster Presentations
Day 2, June 23（Mon.）
Room P (Maesato East, Foyer, Ocean Wing)
- 2P-AM-12
Multiphysics Numerical Modeling of Ion Transport Dynamics in a Photoionization Mass Spectrometry Setup
(USTC)
oZhiwei Wen, Jiuzhong Yang, Chengyuan Liu, Minggao Xu, Yang Pan
Within mass spectrometry instrumentation, ions generated under ambient/vacuum conditions are manipulated by multiphysics fields (flow, electric, and magnetic fields) during their multistage transportation into high-vacuum mass analyzers, resulting in complex dynamic transport phenomena1. Numerical simulation serves as a critical tool for visualizing ion trajectories, advancing fundamental understanding of ion mobility mechanisms, and guiding ion optics optimization to minimize transmission losses2,3.
This study establishes a multiphysics-coupled simulation framework for ion trajectory analysis in mass spectrometry. A hybrid Navier-Stokes and Direct Simulation Monte Carlo (NS-DSMC) approach was implemented to simulate cross-flow regimes, resolving both continuum and rarefied flow regimes4. Electric field distributions were calculated by solving Laplace's equations and coupled with flow field data to compute ion trajectories using the Runge-Kutta method, enabling continuous trajectory simulation across regions of varying pressure.
A low-pressure photoionization time-of-flight mass spectrometer (LPPI-TOF MS) was constructed based on simulation-optimized parameters. By comparing mass spectrometric signals and the ion transmission efficiency data (measured with a picoammeter) with simulation results, the accuracy of the established model was validated. This work provides a robust method for instrumental design refinement, performance benchmarking, and fundamental ion dynamics exploration.