The predictive power of SIMION/SDS simulation software for modeling ion mobility spectrometry instruments

Lai, Hanh; McJunkin, Timothy R.; Miller, Carla J.; Scott, Jill R.; Almirall, José R.

doi:10.1016/j.ijms.2008.06.011

Cited by 46 publications

(35 citation statements)

References 27 publications

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“…However, the general viscous flow model did not account for diffusional effects [48], and the ion indeed drifted down the concentration gradient. Dahl has introduced a statistical diffusion simulation (SDS) model to simulate ion trajectories in viscous environment [49,50], its capabilities of simulation ion motion at ambient pressure were demonstrated for IMS by Almirall [51] and for DMS by Smith [52]. Although the gas flow effect included, the SDS model made some special assumptions and approximations, for example, the average ion velocity varied linearly with the electric field.…”

Section: Introductionmentioning

confidence: 99%

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

Han

Cheng

et al. 2012

International Journal of Mass Spectrometry

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Section: Introductionmentioning

confidence: 99%

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

Han

Cheng

et al. 2012

International Journal of Mass Spectrometry

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“…The SIMION is one kind of software which can simulate the ion motion trace under complex electromagnetic condition, and has been widely used in the design and analysis of the ion mobility spectrometry, mass spectrograph, ion trap and ion source [20][21][22][23]. Because the FAIMS separates the ions based on the difference of the ion mobility in the atmospheric pressure and high and low electric fields, the SIMION cannot act as the simulation of FAIMS.…”

Section: Faims Simulation Methods and Parameter Settingmentioning

confidence: 99%

Experimental and simulation research on the influence of voltage amplitude, frequency and carrier gas flow rate on the performance of FAIMS

Tang

Hua

Wang

et al. 2011

Sci. China Technol. Sci.

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A micro sensor chip of High-field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS) was designed and fabricated by inductively coupled plasma (ICP) etching on the both sides of silicon and double silicon-glass bonding, with dimensions of 18.8 mm×12.4 mm×1.2mm. The sample ions were created at ambient pressure by VUV lamp ion source, which was equipped with a 10.6 eV photo discharge lamp (=116.5 nm). The 2-pentanone was adopted to illustrate the influences of high-field rectangular asymmetric waveform voltage amplitude, frequency and carrier gas flow rate on the performance of FAIMS sensor chip. The experiment results showed that with the frequency or carrier gas flow rate increasing, or voltage amplitude decreasing, the FAIMS sensitivity increases, and that the resolution decreases with the increasing of the frequency or flow rate. The FAIMS simulation results based on the SIMION software was in agreement with the experimental results. The FAIMS detection sensitivity experiment showed that the FAIMS sensor chip can detect positive and negative ions simultaneously, and has detection sensitivity as low as 0.1 ppm for acetic acid. FAIMS, vacuum ultraviolet lamp, MEMS, rectangular asymmetric waveform voltage, SIMION Citation: Tang F, Li H, Wang X H, et al. Experimental and simulation research on the influence of voltage amplitude, frequency and carrier gas flow rate on the performance of FAIMS.

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“…19,20 In the present work, we utilized SIMION to simulate the trajectories of charged particles within the interior of the micro-PDHID for the ultimate purpose of optimizing detection sensitivity. For the studies presented here, the trajectories of electrons within the detector were simulated to estimate the efficiency of charge capture, information that can then be used to improve detector performance.…”

Section: Modelingmentioning

confidence: 99%

Development of a Mesoscale Pulsed Discharge Helium Ionization Detector for Portable Gas Chromatography

et al. 2015

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Miniaturization of gas chromatography (GC) instrumentation enables field detection of volatile organic compounds (VOCs) for chembio-applications such as clandestine human transport and disease diagnostics. We fabricated a mesoscale pulsed discharge helium ionization detector (micro-PDHID) for integrating with our previously described mini-GC hardware. Stainless steel electrodes fabricated by photochemical etching and electroforming facilitated rapid prototyping and enabled nesting of inter-electrode insulators for self-alignment of the detector core during assembly. The prototype was ~10 cm 3 relative to >400 cm 3 of a commercial PDHID, but with a comparable time to sweep a VOC peak from the detector cell (170 ms and 127 ms, respectively). Electron trajectory modeling, gas flow rate, voltage bias, and GC outlet location were optimized for improving sensitivity. Despite 40-fold miniaturization, the micro-PDHID detected 18 ng of the human emanation, 3-methyl-2-hexenoic acid with <3-fold decrease in sensitivity relative to the commercial detector. The micro-PDHID was rugged and operated for 9 months without failure.

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The predictive power of SIMION/SDS simulation software for modeling ion mobility spectrometry instruments

Cited by 46 publications

References 27 publications

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

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

Experimental and simulation research on the influence of voltage amplitude, frequency and carrier gas flow rate on the performance of FAIMS

Development of a Mesoscale Pulsed Discharge Helium Ionization Detector for Portable Gas Chromatography

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