{"title":"用像差法计算静电TOF质量分析仪与SIMION仿真结果的比较","authors":"Daniil D. Odintsov , Sergey S. Poteshin","doi":"10.1016/j.ijms.2025.117526","DOIUrl":null,"url":null,"abstract":"<div><div>In the last few years, high-resolution time-of-flight mass analyzers (TOF-MA) have been intensively developed. Their development requires tools that provide very accurate calculation of ion trajectories in electric fields, since an error on the scale of hundreds of picoseconds at millisecond flight times (10<sup>−10</sup> %) already leads to noticeable distortions of the result. The main apparatus for calculating such systems is the aberration theory, but it has a limitation in the accuracy of calculations, since it is based on expansion in a series, and taking into account the next order of expansion significantly complicates the formulas. In this regard, using the example of calculating ion trajectories for TOF-MA with sector electrostatic fields, a comparison of the results, obtained using the aberration theory was carried out with the results of modeling in Simion. Results of the comparison indicate the possibility of applicability of the program for calculating multi-turn mass analyzers (MT-MA). Using the developed program, MT-MA with a resolution of 470,000 was calculated.</div></div>","PeriodicalId":338,"journal":{"name":"International Journal of Mass Spectrometry","volume":"519 ","pages":"Article 117526"},"PeriodicalIF":1.7000,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comparison of the results of the aberration approach for the calculation of electrostatic TOF mass analyzers with simulation in SIMION\",\"authors\":\"Daniil D. Odintsov , Sergey S. Poteshin\",\"doi\":\"10.1016/j.ijms.2025.117526\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the last few years, high-resolution time-of-flight mass analyzers (TOF-MA) have been intensively developed. Their development requires tools that provide very accurate calculation of ion trajectories in electric fields, since an error on the scale of hundreds of picoseconds at millisecond flight times (10<sup>−10</sup> %) already leads to noticeable distortions of the result. The main apparatus for calculating such systems is the aberration theory, but it has a limitation in the accuracy of calculations, since it is based on expansion in a series, and taking into account the next order of expansion significantly complicates the formulas. In this regard, using the example of calculating ion trajectories for TOF-MA with sector electrostatic fields, a comparison of the results, obtained using the aberration theory was carried out with the results of modeling in Simion. Results of the comparison indicate the possibility of applicability of the program for calculating multi-turn mass analyzers (MT-MA). Using the developed program, MT-MA with a resolution of 470,000 was calculated.</div></div>\",\"PeriodicalId\":338,\"journal\":{\"name\":\"International Journal of Mass Spectrometry\",\"volume\":\"519 \",\"pages\":\"Article 117526\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-09-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Mass Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1387380625001307\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1387380625001307","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
Comparison of the results of the aberration approach for the calculation of electrostatic TOF mass analyzers with simulation in SIMION
In the last few years, high-resolution time-of-flight mass analyzers (TOF-MA) have been intensively developed. Their development requires tools that provide very accurate calculation of ion trajectories in electric fields, since an error on the scale of hundreds of picoseconds at millisecond flight times (10−10 %) already leads to noticeable distortions of the result. The main apparatus for calculating such systems is the aberration theory, but it has a limitation in the accuracy of calculations, since it is based on expansion in a series, and taking into account the next order of expansion significantly complicates the formulas. In this regard, using the example of calculating ion trajectories for TOF-MA with sector electrostatic fields, a comparison of the results, obtained using the aberration theory was carried out with the results of modeling in Simion. Results of the comparison indicate the possibility of applicability of the program for calculating multi-turn mass analyzers (MT-MA). Using the developed program, MT-MA with a resolution of 470,000 was calculated.
期刊介绍:
The journal invites papers that advance the field of mass spectrometry by exploring fundamental aspects of ion processes using both the experimental and theoretical approaches, developing new instrumentation and experimental strategies for chemical analysis using mass spectrometry, developing new computational strategies for data interpretation and integration, reporting new applications of mass spectrometry and hyphenated techniques in biology, chemistry, geology, and physics.
Papers, in which standard mass spectrometry techniques are used for analysis will not be considered.
IJMS publishes full-length articles, short communications, reviews, and feature articles including young scientist features.