title: Prediction of collective characteristics for ion ensembles in quadrupole ion traps without trajectory simulations.
abstract: Fundamental aspects are presented of a two-temperature moment theory for quadrupole ion traps developed via transformation of the Boltzmann equation. Solutions of the moment equations correspond to changes in the ensemble average for any function of ion velocity, because the Boltzmann equation reflects changes to an ion distribution as a whole. The function of primary interest in this paper is the ion effective temperature and its behavior during ion storage and resonance excitation. Calculations suggest that increases in ion effective temperature during resonance excitation are due primarily to power absorption from the main RF trapping field rather than from the dipolar excitation signal. The dipolar excitation signal apparently serves mainly to move ions into regions of the ion trap where the RF electric field, and thus ion RF heating, is greater than near the trap center. Both ideal and non-ideal ion trap configurations are accounted for in the moment equations by incorporating parameterized variables a and q , which are modified versions of the commonly used forms for the DC and AC ring voltages, and b and d , which are new forms that account for the voltages applied to the endcaps. Besides extending the applicability of the moment equations to non-ideal quadrupole ion traps, the modified versions of the parameterized variables can have additional utility. Calculation of the spatial dependence of ion secular oscillation frequencies is demonstrated as an example.
authors.affiliation: Organic and Biological Mass Spectrometry Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA. goeringerde@ornl.gov.
authors.forename: Douglas E
authors.initials: DE
authors.lastname: Goeringer
authors.affiliation: Division of Science, Chatham College, Pittsburgh, Pennsylvania, USA.
authors.forename: Larry A
authors.initials: LA
authors.lastname: Viehland
authors.affiliation: Division of Science, Chatham College, Pittsburgh, Pennsylvania, USA.
authors.forename: Daniel M
authors.initials: DM
authors.lastname: Danailov