...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Environmental Science & Technology >Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study
【24h】

Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study

机译：单乙醇胺增强甲磺酸驱动的新颗粒形成的计算研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Amines are recognized as significant enhancing species on methanesulfonic acid (MSA)-driven new particle formation (NPF). Monoethanolamine (MEA) has been detected in the atmosphere, and its concentration could be significantly increased once MEA-based postcombustion CO2 capture technology is widely implemented. Here, we evaluated the enhancing potential of MEA on MSA-driven NPF by examining the formation of MEA-MSA clusters using a combination of quantum chemical calculations and kinetics modeling. The results indicate that the -OH group of MEA can form at least one hydrogen bond with MSA or MEA in all MEA-containing clusters. The enhancing potential of MEA is higher than that of the strongest enhancing agent known so far, methylamine (MA), for MSA-driven NPF. Such high enhancing potential can be ascribed to not only the higher gas-phase basicity but also the role of the additional -OH group of MEA in increasing the binding free energy by forming additional hydrogen bonds. This clarifies the importance of hydrogen-bonding capacity from the nonamino group of amines in enhancing MSA-driven NPF. The main growth pathway for MEA-MSA clusters proceeds via the initial formation of the (MEA)1(MSA)1 cluster, followed by alternately adding one MSA and one MEA molecule, differing from the case of MA-MSA clusters.
机译：胺被认为是甲磺酸（MSA）驱动的新颗粒形成（NPF）上的重要增强物质。在大气中已检测到单乙醇胺（MEA），一旦广泛采用基于MEA的燃烧后二氧化碳捕集技术，其浓度就会显着增加。在这里，我们通过结合使用量子化学计算和动力学建模检查MEA-MSA簇的形成，评估了MEA在MSA驱动的NPF上的增强潜力。结果表明，在所有含MEA的簇中，MEA的-OH基团可与MSA或MEA形成至少一个氢键。对于MSA驱动的NPF，MEA的增强潜力高于迄今为止已知的最强增强剂甲胺（MA）。这样高的增强潜力不仅可以归因于较高的气相碱性，而且可以归因于MEA的附加-OH基团通过形成附加的氢键而增加结合自由能的作用。这阐明了来自胺的非氨基的氢键合能力在增强MSA驱动的NPF中的重要性。 MEA-MSA簇的主要生长途径是通过（MEA）1（MSA）1簇的初始形成，然后交替添加一个MSA和一个MEA分子，这与MA-MSA簇不同。

著录项

  • 来源
    《Environmental Science & Technology》 |2019年第24期|14387-14397|共11页
  • 作者

    Shen Jiewen; Xie Hong-Bin; Elm Jonas; Ma Fangfang; Chen Jingwen; Vehkamaki Hanna;

  • 作者单位

    Dalian Univ Technol Sch Environm Sci & Technol Minist Educ Key Lab Ind Ecol & Environm Engn Dalian 116024 Peoples R China;

    Aarhus Univ Dept Chem Langelandsgade 140 DK-8000 Aarhus C Denmark|Aarhus Univ iClimate Langelandsgade 140 DK-8000 Aarhus C Denmark;

    Univ Helsinki Inst Atmospher & Earth Syst Res Phys POB 64 Gustaf Hallstromin Katu 2a FI-00014 Helsinki Finland;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号