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Prediction of Collective Characteristics for Ion Ensembles in Quadrupole Ion Traps Without Trajectory Simulations...

by Douglas E Goeringer, Larry Viehland, Daniel Danailov
Publication Type
Journal
Journal Name
Journal of the American Society for Mass Spectrometry
Publication Date
Page Numbers
889 to 902
Volume
17
Issue
7

Fundamental aspects are presented of a two-temperature moment theory for quadrupole ion traps
developed via transformation of the Boltzmann equation. Because the Boltzmann equation reflects
changes to an ion distribution as a whole, the resulting general moment equation describes changes in the
ensemble average for any function of ion velocity. Thus, the system of differential equations, formed
from the general moment equation, can be solved directly (normally, by numerical methods) for average
values of the velocity and of the effective temperature (or equivalently, center-of-mass energy), each as a
function of time and position. The equations contain parameterized variables
!
� a and
!
� q , which are similar
to those commonly used in ion trap studies, and
!
� b and
!
� d , which are parameterized forms of the voltages
applied to the endcaps, to account for both ideal and commonly used ion trap configurations. Examples
illustrate some of the capabilities of moment theory for predicting the time- and position-dependent
characteristics of ion ensembles during various processes in ion traps of selected configurations.