Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Han, Fenglei; Du, Yongzhai; Cheng, Shasha; Zhou, Qinghua; Chen, Chuang; KeyongHou,; Wang, Weiguo; Li, Haiyang

doi:10.1016/j.ijms.2011.08.017

Cited by 16 publications

(9 citation statements)

References 54 publications

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“…While this effect is nonideal, our results do compare favorably with other simulation studies describing the velocity profile of drift gas in a DT-IMS. 51 , 52 Notably, in both of these publications 51 , 52 a restricted drift gas entry orifice is located at the detector end which creates a higher-pressure gas flow entering the DT compared to our design whereby the gas is very well diffused prior to entering the DT.…”

Section: Resultsmentioning

confidence: 99%

Flexible Drift Tube for High Resolution Ion Mobility Spectrometry (Flex-DT-IMS)

et al. 2020

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This paper describes, in detail, the development of a novel, low-cost, and flexible drift tube (DT) along with an associated ion mobility spectrometer system. The DT is constructed from a flexible printed circuit board (PCB), with a bespoke “dog-leg” track design, that can be rolled up for ease of assembly. This approach incorporates a shielding layer, as part of the flexible PCB design, and represents the minimum dimensional footprint conceivable for a DT. The low thermal mass of the polyimide substrate and overlapping electrodes, as afforded by the dog-leg design, allow for efficient heat management and high field linearity within the tube–achieved from a single PCB. This is further enhanced by a novel double-glazing configuration which provides a simple and effective means for gas management, minimizing thermal variation within the assembly. Herein, we provide a full experimental characterization of the flexible DT ion mobility spectrometer (Flex-DT-IMS) with corresponding electrodynamic (Simion 8.1) and fluid dynamic (SolidWorks) simulations. The Flex-DT-IMS is shown to have a resolution >80 and a detection limit of low nanograms for the analysis of common explosives (RDX, PETN, HMX, and TNT).

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Section: Resultsmentioning

confidence: 99%

Flexible Drift Tube for High Resolution Ion Mobility Spectrometry (Flex-DT-IMS)

et al. 2020

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“…This means creating a homogenous temperature and pressure profile inside the drift tube. • Inhomogeneities in the drift gas flow profile, which can play a role at extremely high drift gas flows [13], can be avoided by a proper gas inlet and outlet design. • Chemical broadening of peaks through reactions inside the drift tubes can be minimized by avoiding contamination of both the drift tube material and the drift gas.…”

Section: Resultsmentioning

confidence: 99%

A universal relationship between optimum drift voltage and resolving power

Kirk

Bakes

Zimmermann

2017

Int. J. Ion Mobil. Spec.

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The drift voltage is one of the key experimental parameters of any drift tube ion mobility spectrometer. In this work, we show that a universal relationship between optimum drift voltage and the resolving power reached at this point exists, governed only by temperature and ion charge state. With these two quantities known, the measured optimum drift voltage and resolving power combination can be used to estimate the ideality of the drift conditions inside a drift tube, since any deviation from the theoretical values must be caused by non-idealities in the ions' drift. Analyzing drift voltage sweeps from nine different ion mobility spectrometers, a continuous increase in drift tube ideality over the past is observed, reaching from less than 50% thirty years ago to 99% for a current design based on printed circuit boards. Furthermore, possible causes for the observed non-idealities are discussed.

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“…The dilution ratio of moisture in the samples (79%) was almost the same as the volume ratio per minute of drift gas and dilution gas in the reaction region (80%). In addition, it is noteworthy that the gas flow in the reaction region, especially around the inlet or outlet, is in a turbulence which is a non-equilibrium state in space 37 . As the gas flow moving to the outlet of IMS, the humidity in the reaction region is gradually reduced by the turbulent mixing of dilution gas and drift gas, greatly weakening the interference of moisture on the ionization efficiency of NO.…”

Section: Resultsmentioning

confidence: 99%

Online Measurement of Exhaled NO Concentration and Its Production Sites by Fast Non-equilibrium Dilution Ion Mobility Spectrometry

Peng

Jiang

Liu

et al. 2016

Sci Rep

Self Cite

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Exhaled nitric oxide (NO) is one of the most promising breath markers for respiratory diseases. Its profile for exhalation and the respiratory NO production sites can provide useful information for medical disease diagnosis and therapeutic procedures. However, the high-level moisture in exhaled gas always leads to the poor selectivity and sensitivity for ion spectrometric techniques. Herein, a method based on fast non-equilibrium dilution ion mobility spectrometry (NED-IMS) was firstly proposed to directly monitor the exhaled NO profile on line. The moisture interference was eliminated by turbulently diluting the original moisture to 21% of the original with the drift gas and dilution gas. Weak enhancement was observed for humid NO response and its limit of detection at 100% relative humidity was down to 0.58 ppb. The NO concentrations at multiple exhalation flow rates were measured, while its respiratory production sites were determined by using two-compartment model (2CM) and Högman and Meriläinen algorithm (HMA). Last but not the least, the NO production sites were analyzed hourly to tentatively investigate the daily physiological process of NO. The results demonstrated the capacity of NED-IMS in the real-time analysis of exhaled NO and its production sites for clinical diagnosis and assessment.

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Computational fluid dynamics-Monte Carlo method for calculation of the ion trajectories and applications in ion mobility spectrometry

Cited by 16 publications

References 54 publications

Flexible Drift Tube for High Resolution Ion Mobility Spectrometry (Flex-DT-IMS)

Flexible Drift Tube for High Resolution Ion Mobility Spectrometry (Flex-DT-IMS)

A universal relationship between optimum drift voltage and resolving power

Online Measurement of Exhaled NO Concentration and Its Production Sites by Fast Non-equilibrium Dilution Ion Mobility Spectrometry

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