论文信息 - Monte Carlo simulation of ion transport in ion mobility spectrometry

Monte Carlo simulation of ion transport in ion mobility spectrometry

A program for simulation of ion trajectories in ion mobility spectrometry (IMS) instruments has been developed and incorporated into SIMION 7.0 [Int. J. Mass Spectrom. 200 (2000) 3–25]. Simulations were based on elastic collisions between ions and gas particles and conducted for an IMS drift tube. The program was validated by comparing the reduced mobility of helium ions derived from the simulation with the experimental data for helium ions in neon drift gas in low electric fields. Typical IMS parameters, including pressure, temperature, and flow rate of the drift gas were taken into account in the simulations. The program demonstrates capabilities of generating IMS spectra and predicting ion transport efficiency and separating ions. For the IMS drift tube studied, a correlation between imperfection of the electric field distribution and low resolution has been observed.

William B. Whitten | Jun Xu

[1] D. Dahl. simion for the personal computer in reflection , 2000 .

[2] B. Ruotolo,et al. An electrostatic focusing ion guide for ion mobility-mass spectrometry , 2004 .

[3] Z. Karpas,et al. Mass-mobility correlation of ions in view of new mobility data , 1989 .

[4] I. Chernushevich,et al. A collisional focusing ion guide for coupling an atmospheric pressure ion source to a mass spectrometer , 1997 .

[5] C. Lock,et al. SIMULATION OF ION TRAJECTORIES THROUGH A HIGH PRESSURE RADIO FREQUENCY ONLY QUADRUPOLE COLLISION CELL BY SIMION 6.0 , 1999 .

[6] D. Dahl,et al. SIMION ion optics simulations at atmospheric pressure , 2005 .

[7] R. Johnsen,et al. Mobility of helium ions in neon: Comparison of theory and experiment , 1990 .

[8] M. Hayashi,et al. Mobilities of ground‐state and metastable O+, O2+, O2+, and O22+ ions in helium and neon , 1982 .

[9] Jill R. Scott,et al. Comparison of ion trajectories in vacuum and viscous environments using SIMION , 2007 .

[10] L. Ding,et al. A simulation study of the digital ion trap mass spectrometer , 2002 .

[11] Measurement of external ion injection and trapping efficiency in the ion trap mass spectrometer and comparison with a predictive model , 2002 .