Simulation of ion motion at atmospheric pressure: Particle tracing versus electrokinetic flow

Journal of the American Society for Mass Spectrometry

Volumn 23, Issue 2, 2012, Pages 397-406

  Wissdorf, Walter ^a   Pohler, Larissa ^b   Klee, Sonja ^a   Müller, David ^a   Benter, Thorsten ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

CFD; Comsol; Electro dynamics; FEM; Particle tracing; SIMION; Simulation

Indexed keywords

COMPUTATIONAL APPROACH; COMSOL; CORONA DISCHARGES; ELECTROKINETIC FLOWS; ELEVATED PRESSURE; EXPERIMENTAL DATA; EXPERIMENTAL SETUP; FINITE ELEMENT; ION CURRENTS; ION MOTIONS; ISOTHERMAL CONDITIONS; MEASUREMENT CHAMBER; MULTI-PHYSICS; PARTICLE TRACING; SIMION; SIMULATION; STATIONARY CONDITIONS;

ATMOSPHERIC PRESSURE; COMPUTATIONAL FLUID DYNAMICS; COMPUTATIONAL METHODS; ELECTRIC CORONA; FINITE ELEMENT METHOD; ION SOURCES; SOFTWARE PACKAGES;

ATMOSPHERIC MOVEMENTS;

ANALYTIC METHOD; ARTICLE; ATMOSPHERIC PRESSURE; CALCULATION; COMPUTER PROGRAM; CONTROLLED STUDY; ELECTROKINETIC FLOW; FINITE ELEMENT ANALYSIS; FLUID FLOW; GAS FLOW; INTERMETHOD COMPARISON; ION CURRENT; MOTION; PARTICLE TRACING; SIMULATION;

EID: 84856265425     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1007/s13361-011-0290-x     Document Type: Article

References (17)

1. Scientific Instrument Services Inc.: SIMION ver. 8.0, Ringoes, NJ, USA
2. Bruins, A.P.; Cook, K.D: Electrospray ionization: principles and instrumentation. van Berkel, G.J.: Electrochemistry of the electrospray ionization source; Covey, T.R.; Kovarik, P.; Jong, R: Pneumatically assisted electrospray ionization. In: The Encyclopedia of Mass Spectrometry, Vol. 6, Ionization Methods, 1st ed.; Gross, M.L.; Caprioli, R.N. (eds.) Elsevier, Oxford, U.K. (2007)
3. Moini, M.: Atmospheric pressure chemical ionization: principles, instrumentation, and applications. In: Gross, M.L.; Caprioli, R.N. (eds.) The Encyclopedia of Mass Spectrometry, Vol. 6, Ionization Methods, 1st edn. Elsevier, Oxford (2007)
4. R Mukhopadhyay 2008 IMS/MS: its time has come Anal. Chem. 80 7918 7920 10.1021/ac8018608 1:CAS:528:DC%2BD1cXhtlSlsrjP
5. SJ Valentine RT Kurulugama BC Bohrer SI Merenbloom RA Sowell Y Mechref DE Clemmer 2009 Developing IMS-IMS-MS for rapid characterization of abundant proteins in human plasma Int. J. Mass Spectrom. 283 149 160 10.1016/j.ijms.2009. 02.030 1:CAS:528:DC%2BD1MXmtVSrtL0%3D
6. Sone, Y.: Molecular Gas Dynamics, 8th edn. Birkhäuser, Boston (2007)
7. AD Appelhans DA Dahl 2005 SIMION ion optics simulations at atmospheric pressure Int. J. Mass Spectrom. 244 1 14 10.1016/j.ijms.2005.03.010 1:CAS:528:DC%2BD2MXlsFans7w%3D (Pubitemid 40831674)
8. AD Appelhans DA Dahl 2002 Measurement of external ion injection and trapping efficiency in the ion trap mass spectrometer and comparison with a predictive model Int. J. Mass Spectrom. 216 269 284 10.1016/S1387-3806(02)00627- 9 1:CAS:528:DC%2BD38Xkt1anurw%3D
9. Comsol, A.B.: Chemical Reaction Engineering Module User's Guide ver. 4.0a, 1998-2010
10. Eiceman, G.A.; Karpas, Z.: Ion Mobility Spectrometry, 2nd edn. CRC Press, Boca Raton (2005)
11. H Lai TR McJunkin CJ Miller Jr. Scott Jr. Almirall 2008 The predictive power of SIMION/SDS simulation software for modeling ion mobility spectrometry instruments Int. J. Mass Spectrom. 276 1 8 10.1016/j.ijms.2008.06.011 1:CAS:528:DC%2BD1cXhtVagt7zI
12. Barth, S.; Zimmermann S.: Modeling Ion Motion in a Miniaturized Ion Mobility Spectrometer. Proceedings of the European COMSOL Conference, Hannover, Germany (2008)
13. Poehler, T.; Kunte, R.; Hoenen, H.; Jeschke, P.; Wissdorf, W.; Brockmann, K.J.; Benter, T.: Numerical simulation and experimental validation of the three-dimensional flow field and relative analyte concentration distribution in an atmospheric pressure ion source. J. Am. Soc. Mass Spectrom. (2011). doi: 10.1007/s13361-011-0211-z
14. Wissdorf, W.; Lorenz, M.; Klee, S.; Poehler, T.; Hoehnen, H.; Benter, T.: Atmospheric pressure ion source development: experimental validation of simulated ion trajectories within complex flow velocity and electrical fields. Unpublished (manuscript in preparation)
15. Ferzinger, J.H.; Perić, M.: Computational Methods for Fluid Dynamics, 3rd edn. Springer, Berlin (2002)
16. Comsol, A.B.: Comsol Multiphysics ver. 4.0a Users Guide, 1998-2010
17. AA Shvartsburg MF Jarrold 1996 An exact hard-spheres scattering model for the mobilities of polyatomic ions Chem. Phys. Lett. 261 86 91 10.1016/0009-2614(96)00941-4 1:CAS:528:DyaK28XlvFKnsbk%3D (Pubitemid 126163393)