分析物在MEMS GC固定相上吸附的分子模拟

N. Iwamoto, U. Bonne
{"title":"分析物在MEMS GC固定相上吸附的分子模拟","authors":"N. Iwamoto, U. Bonne","doi":"10.1109/ESIME.2006.1644059","DOIUrl":null,"url":null,"abstract":"Future microelectromechanical systems (MEMS), nanoelectromechanical (NEMS), and micro-optical electromechanical systems (MOEMS) require distinct understanding of interfacial effects in order to predict their performance and to reliably manufacture these devices. We show here that molecular modeling offers a unique tool for simulating and understanding critical working interfaces by specifically modeling the atomic mechanics during performance. This paper offers examples of how molecular modeling may be used for improving materials used in MEMS devices using as example the comparative performance of materials for stationary phases in gas chromatographs. This comparison was based on derived interaction enthalpies between analytes and stationary phases and using simulations of surface separation by employing molecular dynamics. The separation performance was compared to experimental GC data., showing that qualitative comparison of separation was present from the molecular scale and confirming that molecular modeling may be a useful tool to pre-select stationary phases for specific activity","PeriodicalId":60796,"journal":{"name":"微纳电子与智能制造","volume":"12 1","pages":"1-9"},"PeriodicalIF":0.0000,"publicationDate":"2006-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Molecular Modeling of Analyte Adsorption on MEMS GC Stationary Phases\",\"authors\":\"N. Iwamoto, U. Bonne\",\"doi\":\"10.1109/ESIME.2006.1644059\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Future microelectromechanical systems (MEMS), nanoelectromechanical (NEMS), and micro-optical electromechanical systems (MOEMS) require distinct understanding of interfacial effects in order to predict their performance and to reliably manufacture these devices. We show here that molecular modeling offers a unique tool for simulating and understanding critical working interfaces by specifically modeling the atomic mechanics during performance. This paper offers examples of how molecular modeling may be used for improving materials used in MEMS devices using as example the comparative performance of materials for stationary phases in gas chromatographs. This comparison was based on derived interaction enthalpies between analytes and stationary phases and using simulations of surface separation by employing molecular dynamics. The separation performance was compared to experimental GC data., showing that qualitative comparison of separation was present from the molecular scale and confirming that molecular modeling may be a useful tool to pre-select stationary phases for specific activity\",\"PeriodicalId\":60796,\"journal\":{\"name\":\"微纳电子与智能制造\",\"volume\":\"12 1\",\"pages\":\"1-9\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2006-04-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"微纳电子与智能制造\",\"FirstCategoryId\":\"1087\",\"ListUrlMain\":\"https://doi.org/10.1109/ESIME.2006.1644059\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"微纳电子与智能制造","FirstCategoryId":"1087","ListUrlMain":"https://doi.org/10.1109/ESIME.2006.1644059","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 3

摘要

未来的微机电系统(MEMS)、纳米机电系统(NEMS)和微光机电系统(MOEMS)需要对界面效应有不同的理解,以便预测其性能并可靠地制造这些设备。我们在这里展示了分子建模为模拟和理解关键工作界面提供了一个独特的工具,通过在性能过程中专门建模原子力学。本文提供了分子建模如何用于改进MEMS器件中使用的材料的示例,例如气相色谱仪中固定相材料的比较性能。这种比较是基于分析物和固定相之间的相互作用焓,并利用分子动力学模拟表面分离。并与实验GC数据进行了比较。,表明从分子尺度上存在分离的定性比较,并确认分子建模可能是预先选择特定活性的固定相的有用工具
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Modeling of Analyte Adsorption on MEMS GC Stationary Phases
Future microelectromechanical systems (MEMS), nanoelectromechanical (NEMS), and micro-optical electromechanical systems (MOEMS) require distinct understanding of interfacial effects in order to predict their performance and to reliably manufacture these devices. We show here that molecular modeling offers a unique tool for simulating and understanding critical working interfaces by specifically modeling the atomic mechanics during performance. This paper offers examples of how molecular modeling may be used for improving materials used in MEMS devices using as example the comparative performance of materials for stationary phases in gas chromatographs. This comparison was based on derived interaction enthalpies between analytes and stationary phases and using simulations of surface separation by employing molecular dynamics. The separation performance was compared to experimental GC data., showing that qualitative comparison of separation was present from the molecular scale and confirming that molecular modeling may be a useful tool to pre-select stationary phases for specific activity
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
145
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信