DICP OpenIR
学科主题物理化学
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)
关键词Ion Trajectory simulatIon Modeling Computational Fluid Dynamics Simion Ion Mobility Spectrometry
刊名INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
2012
ISSN1387-3806
DOI10.1016/j.ijms.2011.08.017
309期:1页:13-21
收录类别SCI
文章类型Article
部门归属1
项目归属102
产权排名1,1
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Physics, Atomic, Molecular & Chemical ; Spectroscopy
研究领域[WOS]Physics ; Spectroscopy
关键词[WOS]MASS-SPECTROMETRY ; ELECTROSPRAY-IONIZATION ; ATMOSPHERIC-PRESSURE ; ORGANIC-COMPOUNDS ; AMBIENT-PRESSURE ; HIGH-RESOLUTION ; SIMULATION ; SIMION ; GUIDE ; TRAP
英文摘要A 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.
语种英语
WOS记录号WOS:000299063100002
引用统计
被引频次:12[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118261
专题中国科学院大连化学物理研究所
通讯作者Li HY(李海洋)
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
推荐引用方式
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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