NDLI: Numerical Modeling of Ion Transport in an ESI-MS System

Content Provider	Springer Nature Link
Author	Gimelshein, Natalia Gimelshein, Sergey Lilly, Taylor Moskovets, Eugene
Copyright Year	2014
Abstract	Gas and ion transport in the capillary-skimmer subatmospheric interface of a mass spectrometer, which is typically utilized to separate unevaporated micro-droplets from ions, was studied numerically using a two-step approach spanning multiple gas dynamic regimes. The gas flow in the heated capillary and in the interface was determined by solving numerically the Navier-Stokes equation. The capillary-to-skimmer gas/ion flow was modeled through the solution of the full Boltzmann equation with a force term. The force term, together with calculated aerodynamic drag, determined the ion motion in the gap between the capillary and skimmer. Three-dimensional modeling of the impact of the voltage applied to the Einzel lens on the transmission of doubly charged peptide ions through the skimmer orifice was compared with experimental data obtained in the companion study. Good agreement between measured and computed signals was observed. The numerical results indicate that as many as 75% of the ions that exit from the capillary are lost on the conical surface of the skimmer or capillary outer surface because of the electrostatic force and plume divergence. Figure ᅟ
Starting Page	820
Ending Page	831
Page Count	12
File Format	PDF
ISSN	10440305
Journal	Journal of The American Society for Mass Spectrometry
Volume Number	25
Issue Number	5
e-ISSN	18791123
Language	English
Publisher	Springer US
Publisher Date	2014-03-22
Publisher Institution	The American Society for Mass Spectrometry
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	ESI-MS Ion transport Kinetic modeling Analytical Chemistry Biotechnology Organic Chemistry Proteomics Bioinformatics
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Structural Biology

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
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3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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