Modeling on Fragmentation of Clusters inside a Mass Spectrometer

Atmospheric clusters are weakly bound and can fragment inside the measuring instruments, in particular, mass spectrometers. Since the clusters accelerate under electric fields, the fragmentation cannot be described in terms of rate constants under equilibrium conditions. Using basic statistical prin...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (2), p.611-624
Hauptverfasser: Zapadinsky, Evgeni, Passananti, Monica, Myllys, Nanna, Kurtén, Theo, Vehkamäki, Hanna
Format: Artikel
Sprache:eng
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Zusammenfassung:Atmospheric clusters are weakly bound and can fragment inside the measuring instruments, in particular, mass spectrometers. Since the clusters accelerate under electric fields, the fragmentation cannot be described in terms of rate constants under equilibrium conditions. Using basic statistical principles, we have developed a model for fragmentation of clusters moving under an external force. The model describes an energy transfer to the cluster internal modes caused by collisions with residual carrier gas molecules. As soon as enough energy is accumulated in the cluster internal modes, it can fragment. The model can be used for interpreting experimental measurements by atmospheric pressure interface mass spectrometers.
ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.8b10744