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Simulations of Ion Motion

Simulations of ion trajectories within the device were performed with SIMION 8.0 (Scientific Instrument Services) and the included statistical diffusion simulation (SDS) algorithm [21]. At atmospheric pressure, it is not computationally efficient to utilize traditional hard-sphere collision models as the mean free path in air is * 67 nm [22]. Instead, the SDS algorithm calculates ion motion based on ion mobility and a simulated diffusion in the form of “jumps” in a random direction at each time step, the magnitude of which is determined based on collision statistics [21]. A more detailed discussion of ion trajectory simulation at atmospheric pressure is given in Sect. 1.3. The workflow from design to simulation was inherently simplified through the use of the SL toolkit included with SIMION. Within the SL toolkit the user may import geometry in the form of stereolithography (.stl) files. The surface mesh defined by the .stl files is read by the SL tookit and used to generate potential array points. Through the use of a Runge Kutta iterative method, these points are used to solve for a scalable electric field, the basis of the simulation environment in SIMION. Because .stl is the native file format accepted by most software packages to prepare files for 3D printing, the same files may be used for both electrode production and trajectory simulation.

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