Evidence map›Paper›PMID 42500828›Full record

ArticleRapid communications in mass spectrometry : RCM2026

Hybrid CFD-DSMC Simulation of Ion Transport in Photoionization Mass Spectrometry: From Atmospheric Pressure to High Vacuum.

Zhiwei Wen, Shijun Gao, Jun Huang, Guangqi Wang, Yihan Tang, Chengyuan Liu, Minggao Xu, Hui Gao, Xudi Wang, Jiuzhong Yang and 1 more

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Article in Rapid communications in mass spectrometry : RCM, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

11 authors.

Zhiwei WenNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Shijun GaoNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Jun HuangNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Guangqi WangNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Yihan TangNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Chengyuan LiuNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.ORCID https://orcid.org/0000-0002-8690-8698
Minggao XuNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Hui GaoNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.
Xudi WangSchool of Mechanical Engineering, Hefei University of Technology, Hefei, Anhui, China.
Jiuzhong YangNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.ORCID https://orcid.org/0000-0002-7076-3412
Yang PanNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, China.ORCID https://orcid.org/0000-0002-9360-3809

Funding

CAS Key Technology Talent Program and USTC Research Funds of the Double First-Class Initiative 2310002010Key Project of Anhui Province Science and Technology Innovation Platform S202305a12020030National Key Research and Development Program of China 2021YFA1502600National Key Research and Development Program of China 2022YFA1505800National Natural Science Foundation of China 92045301Science and Technology Plan Project of China Tobacco Anhui Industrial Co. Ltd. 2022340000340020Science and Technology Plan Project of China Tobacco Anhui Industrial Co. Ltd. 2025140
6 · The paper itself

Abstract

rationaleThe ion motion within a mass spectrometer is governed by the coupling of gas dynamics and electric fields. Therefore, a comprehensive understanding of ion transport from atmospheric pressure to the high-vacuum mass analyzer is crucial.

methodsIn this work, a hybrid computational fluid dynamics-direct simulation Monte Carlo (CFD-DSMC) strategy was employed to accurately resolve the cross-scale flow fields spanning from the continuum to the rarefied regime in the mass spectrometer. Subsequently, a multiphysics model integrating gas dynamics, electric fields, and ion trajectories was developed to achieve high-precision predictions of ion transport behavior.

resultsTo validate the accuracy of the theoretical simulation, ion transmission efficiencies of acetone and toluene were experimentally measured using a homemade low-pressure photoionization time-of-flight mass spectrometer (LPPI-TOF-MS). The experimental results demonstrated a strong correlation with the simulation predictions, achieving a maximum Pearson correlation coefficient (r) of 0.96 for toluene and 0.90 for acetone in the radio-frequency-only quadrupole (RFQ) region, confirming the model's reliability.

conclusionsThis study provides a robust theoretical tool for elucidating ion transport mechanisms and guiding the optimization of ion optics in mass spectrometers.

Indexed as

coupled multiphysics simulationcross‐scale flow fieldshybrid CFD‐DSMC methodion transportlow‐pressure photoionization mass spectrometer

Identifiers

PMID42500828
PMCPMC13401229

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.