Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry
文献类型：期刊论文
| 作者 | Han, Fenglei1,2; Du, Yongzhai1,2; Cheng, Shasha1,2; Zhou, Qinghua1,2; Chen, Chuang1,2; KeyongHou1; Wang, Weiguo1; Li, Haiyang1 |
| 刊名 | international journal of mass spectrometry
 |
| 出版日期 | 2012 |
| 卷号 | 309期号:1页码:13-21 |
| 关键词 | Ion trajectory simulation Modeling Computational fluid dynamics SIMION Ion mobility spectrometry |
| ISSN号 | 1387-3806 |
| 产权排序 | 1,1 |
| 通讯作者 | 李海洋 |
| 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. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 学科主题 | 物理化学 |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000299063100002 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/118261]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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.,...&Li, Haiyang.(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. |
入库方式： OAI收割
来源：大连化学物理研究所
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