MSCUBE - SOFTWARE

SOFTWARE

SIMAX

Ion motion simulation software for the Dynamic Mass Spectrometry

STABILITY DIAGRAM BUILDER RECTANGULAR WAVE

Build stability diagrams for any arbitrary rectangular RF voltages and any quadrupole electrode systems

SIMAX offers a library of standard sin-wave and rectangular RF voltages. The library can be extended by any arbitrary customized waveforms.

SIMAX provides particle tracing with space charge interactions based on the Coulomb interactions between individual particles rather than distributed space charge fields.

The Coulomb interactions are computed in a multi-particle simulation mode using the approximate tree method. The direct method becomes very slow as the number of simulated particles grows. In contrast, the approximate tree method shows much faster computation speed and accelerates the space charge simulations by orders of magnitude. Thousands of interacting particles can be simulated by SIMAX.

SIMAX provides simulation of ion collisions with neutral particles based on random Monte-Carlo simulations of ion-neutral collision events, hard-sphere, Langevine (polarization model), and some velocity-dependent cross-section models.

Buffer gas properties can be easily specified in SIMAX and may include distributed pressure fields, temperature and separate gas flows.

As any other general CPO software SIMAX performs a single particle tracing. SIMAX samples ion locations with a fixed time step and allows visualization of ion trajectory by time series.

These time series can be also expressed in a conventional phase space projections. In addition, SIMAX allows the Fourier transform of time series to recover characteristic frequencies of ion motion, which is an important part of the dynamic mass spectrometry.

SIMAX has different tools for statistical analysis of ion clouds. Although SIMAX is capable of single particle tracing, the primary target of simulations is a tracing of statistically significant ion populations. A typical simulation includes hundreds and even thousands of particles, which usually vary by mass, charge, cross section or other properties.

Initial parameters of every ion population can be generated in SIMAX using random distributions or by setting regular increments.

As ions fly through the device, SIMAX dynamically visualizes the motion in a real space and in the configuration space.

In the configuration space SIMAX allows 2D plots of any ion parameter against any other parameter (general phase space option). At any given time SIMAX allows measurements of mean and standard deviations of ion parameters trough phase-space windows. For most important ion cloud parameters, such as location and velocity it is possible to plot a graph of mean values and standard deviations against time or location within the space.

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