Peak coalescence, spontaneous loss of coherence, and quantification of the relative abundances of two species in the plasma regime: Particle-in-cell modeling of fourier transform ion cyclotron resonance mass spectrometry

• DOI: 10.1016/j.jasms.2010.06.004
• Publication Date: 2010-06-12T08:47:40Z
• Authors: M. Takeshi Nakata; Grant W. Hart; Bryan G. Peterson
• Keywords: Ion cyclotron resonance; Selected ion monitoring; Particle-in-cell; Coalescence (physics)

Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is often limited by space-charge effects. Previously, particle-in-cell (PIC) simulations have been used to understand these effects on FTICR-MS signals. However, none extended fully into the dominated (plasma) regime. We use a two-dimensional (2-D) electrostatic PIC code, which facilitates work at very high number densities modest computational cost study in plasma In our simulation, we observed peak coalescence and rapid loss of signal coherence, two common experimental problems. This demonstrates that 2-D model can simulate The code handle larger numbers particles finer spatial resolution than currently be addressed 3-D models. method naturally takes account image charge space trapped-ion spectrometry. found quantify relative abundances closely spaced (such as (7)Be(+) (7)Li(+)) species regime even when their peaks coalesced. find frequency coalesced shifts linearly according species. Space also affects more widely lines. Singly-ionized (7)BeH (7)Li separate Both area vary nonlinearly with abundances. Under some conditions, exhibited coherence. this due order diocotron instability growing cloud.