title: Simulation of rarefied gas flows in atmospheric pressure interfaces for mass spectrometry systems.
abstract: The understanding of the gas dynamics of the atmospheric pressure interface is very important for the development of mass spectrometry systems with high sensitivity. While the gas flows at high pressure (>1 Torr) and low pressure (<10(-3) Torr) stages are relatively well understood and could be modeled using continuum and molecular flows, respectively, the theoretical modeling or numeric simulation of gas flow through the transition pressure stage (1 to 10(-3) Torr) remains challenging. In this study, we used the direct simulation Monte Carlo (DMSC) method to develop the gas dynamic simulations for the continuous and discontinuous atmospheric pressure interfaces (API), with different focuses on the ion transfer by gas flows through a skimmer or directly from the atmospheric pressure to a vacuum stage, respectively. The impacts by the skimmer location in the continuous API and the temporal evolvement of the gas flow with a discontinuous API were characterized, which provide a solid base for the instrument design and performance improvement.
authors.affiliation: Weldon School of Biomedical Engineering, Purdue University, West Lafayette, IN, 47907, USA.
authors.forename: Sandilya
authors.initials: S
authors.lastname: Garimella
authors.forename: Xiaoyu
authors.initials: X
authors.lastname: Zhou
authors.forename: Zheng
authors.initials: Z
authors.lastname: Ouyang
mesh_terms: D001274:Atmospheric Pressure; D003198:Computer Simulation; D004867:Equipment Design; D005740:Gases / Q000737:chemistry*; D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D008956:Models, Chemical; D009010:Monte Carlo Method; D009038:Motion
chemical_list: D005740:Gases
references.citation: Mass Spectrom Rev. 2009 Nov-Dec;28(6):870-97
references.pmid: 19626583
references.citation: Anal Chem. 2011 Mar 1;83(5):1857-61
references.pmid: 21299234
references.citation: Anal Chem. 2011 Jun 15;83(12):4508-38
references.pmid: 21495690
references.citation: Rapid Commun Mass Spectrom. 1999;13(24):2444-9
references.pmid: 10589092
references.citation: Analyst. 2010 Apr;135(4):705-11
references.pmid: 20309444
references.citation: J Mass Spectrom. 2012 Feb;47(2):201-7
references.pmid: 22359330
references.citation: J Am Soc Mass Spectrom. 2008 Oct;19(10):1425-34
references.pmid: 18672381
references.citation: Science. 1989 Oct 6;246(4926):64-71
references.pmid: 2675315
references.citation: Science. 2006 Mar 17;311(5767):1566-70
references.pmid: 16543450
references.citation: Proc Natl Acad Sci U S A. 2008 Nov 25;105(47):18088-9
references.pmid: 18922771
references.citation: Anal Chem. 2008 Oct 1;80(19):7198-205
references.pmid: 18754674
references.citation: J Am Soc Mass Spectrom. 2004 Nov;15(11):1616-28
references.pmid: 15519229
references.citation: Anal Chem. 2010 Aug 1;82(15):6584-6592
references.pmid: 20698581
references.citation: Anal Chem. 2008 Jun 1;80(11):4026-32
references.pmid: 18461971
references.citation: Rapid Commun Mass Spectrom. 2000;14(22):2129-34
references.pmid: 11114020
references.citation: J Mass Spectrom. 2012 Nov;47(11):1466-72
references.pmid: 23147823
references.citation: J Am Soc Mass Spectrom. 2006 Jun;17(6):772-779
references.pmid: 16603374
references.citation: J Am Soc Mass Spectrom. 2006 Sep;17(9):1216-28
references.pmid: 16793279
references.citation: J Am Soc Mass Spectrom. 2010 Jan;21(1):132-5
references.pmid: 19879158
references.citation: Annu Rev Anal Chem (Palo Alto Calif). 2009;2:187-214
references.pmid: 20636059
references.citation: Anal Chem. 2012 Jan 17;84(2):931-8
references.pmid: 22145627
references.citation: Anal Chem. 2002 Dec 15;74(24):6145-53
references.pmid: 12510732
references.citation: Anal Chem. 2006 Sep 1;78(17):5994-6002
references.pmid: 16944876
references.citation: Analyst. 2010 Apr;135(4):659-60
references.pmid: 20309439
references.citation: Anal Chem. 2004 Aug 15;76(16):4595-605
references.pmid: 15307768
references.citation: J Am Soc Mass Spectrom. 2006 Jul;17(7):916-922
references.pmid: 16697659
references.citation: Anal Chem. 2009 Apr 1;81(7):2421-5
references.pmid: 19281190
references.citation: Int J Mass Spectrom. 2011 Sep 15;306(2-3):114-122
references.pmid: 21927573
references.citation: J Am Soc Mass Spectrom. 2009 Nov;20(11):2144-53
references.pmid: 19682924
references.citation: J Am Soc Mass Spectrom. 1994 Oct;5(10):873-85
references.pmid: 24226233
references.citation: J Am Soc Mass Spectrom. 2007 Sep;18(9):1582-90
references.pmid: 17627841