Particle-in-cell simulations of ion motion in novel fticr-ms analyzer cell designs
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Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) is based on the measurement of an ion’s cyclotron frequency. This measurement is based on the interaction of ions with the magnetic and electric fields present in the analyzer. These can be applied fields or space-charge resulting from ions being confined in the analyzer cell. Recently, several new analyzer cell designs have been developed, aiming at improving mass resolving power, mass accuracy, or both. These new analyzers change ion motion and detection in different ways, and understanding these changes can help guide experiment design and aid in the development of newer analyzer cells. Multi-particle simulations provide insight to the manner in which the new cell designs improve performance. Particle-in-cell (PIC) simulations offer a computationally tractable method for understanding ion motion in an FTICR-MS analyzer cell. In the presented work, PIC simulations are extended to include accurate modeling of image charge forces, and used to understand ion motion in new analyzer cells with unique detection schemes.