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首页> 外文期刊>Environmental Science & Technology >Simulating Aqueous-Phase Isoprene-Epoxydiol (IEPOX) Secondary Organic Aerosol Production During the 2013 Southern Oxidant and Aerosol Study (SOAS)
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Simulating Aqueous-Phase Isoprene-Epoxydiol (IEPOX) Secondary Organic Aerosol Production During the 2013 Southern Oxidant and Aerosol Study (SOAS)

机译：在2013年南部氧化剂和气溶胶研究（SOAS）中模拟水相异戊二烯-环氧二醇（IEPOX）二次有机气溶胶生产

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摘要

The lack of statistically robust relationships between IEPOX (isoprene epoxydiol)-derived SOA (IEPOX SOA) and aerosol liquid water and pH observed during the 2013 Southern Oxidant and Aerosol Study (SOAS) emphasizes the importance of modeling the whole system to understand the controlling factors governing IEPOX SOA formation. We present a mechanistic modeling investigation predicting IEPOX SOA based on Community Multiscale Air Quality (CMAQ) model algorithms and a recently introduced photochemical box model, simpleGAMMA. We aim to (1) simulate IEPOX SOA tracers from the SOAS Look Rock ground site, (2) compare the two model formulations, (3) determine the limiting factors in IEPOX SOA formation, and (4) test the impact of a hypothetical sulfate reduction scenario on IEPOX SOA. The estimated IEPOX SOA mass variability is in similar agreement (r~2 ~ 0.6) with measurements. Correlations of the estimated and measured IEPOX SOA tracers with observed aerosol surface area (r~2 ~ 0.5-0.7), rate of particle-phase reaction (r~2 ~ 0.4-0.7), and sulfate (r~2 ~ 0.4-0.5) suggest an important role of sulfate in tracer formation via both physical and chemical mechanisms. A hypothetical 25% reduction of sulfate results in ~70% reduction of IEPOX SOA formation, reaffirming the importance of aqueous phase chemistry in IEPOX SOA production.
机译：在2013年南方氧化剂和气溶胶研究（SOAS）中观察到的IEPOX（异戊二烯环氧二醇）的SOA（IEPOX SOA）与气溶胶液态水和pH之间缺乏统计上稳健的关系，这强调了对整个系统进行建模以了解控制因素的重要性控制IEPOX SOA的形成。我们提出了基于社区多尺度空气质量（CMAQ）模型算法和最近推出的光化学箱模型simpleGAMMA预测IEPOX SOA的机械模型研究。我们的目的是（1）从SOAS Look Rock地面站点模拟IEPOX SOA示踪剂，（2）比较两种模型公式，（3）确定IEPOX SOA形成的限制因素，以及（4）测试假设的硫酸盐的影响IEPOX SOA的减少方案。 IEPOX SOA的估计质量变异性与测量值相似（r〜2〜0.6）。估计和测量的IEPOX SOA示踪剂与观测到的气溶胶表面积（r〜2〜0.5-0.7），颗粒相反应速率（r〜2〜0.4-0.7）和硫酸盐（r〜2〜0.4-0.5）的相关性）暗示了硫酸盐通过物理和化学机理在示踪剂形成中的重要作用。假设硫酸盐减少25％，导致IEPOX SOA形成减少约70％，从而重申了水相化学在IEPOX SOA生产中的重要性。

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  • 来源
    《Environmental Science & Technology》 |2017年第9期|5026-5034|共9页
  • 作者

    Sri Hapsari Budisulistiorini; Athanasios Nenes; Annmarie G. Carlton; Jason D. Surratt; V. Faye McNeill; Havala Ο. T. Pye;

  • 作者单位

    National Exposure Research Laboratory, U,S, EPA, Research Triangle Park, North Carolina 27711, United States ,Department of Environmental Sciences and Engineering, Gillings School of Global Public Health, University of North Carolina, Chapel Hill, North Carolina 27599, United States ,Earth Observatory of Singapore, Nanyang Technological University, Singapore 639798, Singapore;

    School of Earth and Atmospheric Sciences, Georgia Institute of Technology, Atlanta, Georgia 30322, United States ,School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30322, United States ,Institute of Chemical Engineering Sciences, Foundation for Research and Technology - Hellas, Patras GR-26504, Greece ,Institute of Environmental Research and Sustainable Development, National Observatory of Athens, Palea Penteli GR-15236, Greece;

    Department of Chemistry, University of California, Irvine, California 92617, United States;

    Department of Environmental Sciences and Engineering, Gillings School of Global Public Health, University of North Carolina, Chapel Hill, North Carolina 27599, United States;

    Department of Chemical Engineering, Columbia University, New York, New York 10027, United States;

    National Exposure Research Laboratory, U,S, EPA, Research Triangle Park, North Carolina 27711, United States;

  • 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);
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