Modeling the ion density distribution in collisional cooling RF multipole ion guides
Collisional cooling radio frequency (RF) multipoles are widely used in mass spectrometry, as ion guides and two-dimensional (2D) ion traps. Understanding the behavior of ions in these devices is important in choosing a multipole configuration. We have developed a computer model based on ion trajectory calculations in the RF multipole electric field, taking into account ion-ion and ion-neutral interactions. The two-dimensional model for idealized infinite RF multipoles gives accurate description of the ion density distribution. We consider first a basic case of a single m/z ion cloud in the 2D RF quadrupole after equilibrium is reached. Approximate theoretical relationships for the ion cloud configuration in the 2D ion trap are tested based on simulations results. Next we proceed with a case of an ion cloud consisting of several different m/z ion species. The ion relaxation dynamics and the process of establishing the stratified ion density distribution are followed. Simulations reveal a different relaxation dynamics for the axial and radial ion kinetic energy components. The kinetic energy relaxation rate is dependent on ion population and bath gas pressure. The equilibrium distribution agrees well with the ion stratification theory, as demonstrated by simulations for RF quadrupole and octupole 2D ion traps.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 15010494
- Report Number(s):
- PNNL-SA-37086
- Journal Information:
- International Journal of Mass Spectrometry, 222(1-3):155-174, Journal Name: International Journal of Mass Spectrometry, 222(1-3):155-174
- Country of Publication:
- United States
- Language:
- English
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