DICP OpenIR
Subject Area物理化学
Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry
Han, Fenglei1,2; Du, Yongzhai1,2; Cheng, Shasha1,2; Zhou, Qinghua1,2; Chen, Chuang1,2; KeyongHou1; Wang, Weiguo1; Li, Haiyang1; Li HY(李海洋)
KeywordIon Trajectory simulatIon Modeling Computational Fluid Dynamics Simion Ion Mobility Spectrometry
Source PublicationINTERNATIONAL JOURNAL OF MASS SPECTROMETRY
2012
ISSN1387-3806
DOI10.1016/j.ijms.2011.08.017
Volume309Issue:1Pages:13-21
Indexed BySCI
SubtypeArticle
Department1
Funding Project102
Contribution Rank1,1
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectPhysics, Atomic, Molecular & Chemical ; Spectroscopy
WOS Research AreaPhysics ; Spectroscopy
WOS KeywordMASS-SPECTROMETRY ; ELECTROSPRAY-IONIZATION ; ATMOSPHERIC-PRESSURE ; ORGANIC-COMPOUNDS ; AMBIENT-PRESSURE ; HIGH-RESOLUTION ; SIMULATION ; SIMION ; GUIDE ; TRAP
AbstractA computational fluid dynamics-Monte Carlo approach (abbreviated as CMC) based on SIMION has been developed for simulating the ions trajectories in both the fluid and electric fields simultaneously, the gas flow effect and collision of the ions with the gas molecules are considered within this approach. Four kinds of physical parameters of the instruments can be obtained by this model: the flow field, the electric field, the ion trajectories and the mobility spectrum. A drift tube ion mobility spectrometer was built and simulated to verify this model. The distribution of gas flow field (velocity, pressure, temperature) was simulated by a 2D geometry. The ions trajectories and ion mobility spectra of the IMS were then calculated. The good agreements between simulation and experiment show that the CMC model has predictive power for modeling ion motion at ambient pressure, and this model can serve as visual aids for intuitively understanding the factors that determine ion transport. (C) 2011 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000299063100002
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/118261
Collection中国科学院大连化学物理研究所
Corresponding AuthorLi HY(李海洋)
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Han, Fenglei,Du, Yongzhai,Cheng, Shasha,et al. Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2012,309(1):13-21.
APA Han, Fenglei.,Du, Yongzhai.,Cheng, Shasha.,Zhou, Qinghua.,Chen, Chuang.,...&李海洋.(2012).Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,309(1),13-21.
MLA Han, Fenglei,et al."Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 309.1(2012):13-21.
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