Gas-Phase Water-Soluble Organic Carbon: CMAQ Model Evaluation in Baltimore County

IF 2.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Ellie N. Smith, Kirk R. Baker, Marwa M.H. El-Sayed, Christopher J. Hennigan, Simon Rosanka and Annmarie G. Carlton*, 
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Abstract

Prediction of gas-phase water-soluble organic carbon (WSOCg), a precursor for secondary organic aerosol formed through processing in atmospheric waters (aqSOA), has not yet been evaluated in models. We pair the WSOCg predictions from the U.S. EPA’s Community Multiscale Air Quality (CMAQ) model with continuous mist chamber measurements during February–March 2015 and August 2016 in Baltimore County, MD. We simulate mist chamber collection of WSOCg from CMAQ’s atmosphere with application of compound-specific collection efficiencies as a function of Henry’s law. CMAQ predictions of WSOCg mass concentrations are highest in August, while measurements are highest during February–March. CMAQ does not replicate the average diurnal pattern of the measured WSOCg in any month. The CMAQ prediction of directly emitted VOCs that oxidize to form WSOCg is more reasonable, and the model skill for nitrogen dioxide (NO2) and ozone (O3) is relatively excellent in comparison (R2 = 0.5 and R2 = 0.6, respectively; p ≈ 0). These findings suggest that representation of organic gases and their chemistry in this CMAQ simulation is sufficient to accurately predict the criteria pollutants NO2 and O3, but not necessarily the chemical transformations that produce WSOCg, an important precursor for aqSOA.

气相水溶性有机碳:巴尔的摩县CMAQ模型评价
气相水溶性有机碳(WSOCg)是通过处理在大气水体中形成的二次有机气溶胶(aqSOA)的前体,其预测尚未在模式中进行评估。我们将来自美国环保署社区多尺度空气质量(CMAQ)模型的WSOCg预测与马里兰州巴尔的摩县2015年2月至3月和2016年8月的连续雾室测量结果配对。我们模拟了雾室收集CMAQ大气中的WSOCg,并应用化合物特定收集效率作为亨利定律的函数。CMAQ预测的WSOCg质量浓度在8月最高,而测量的WSOCg质量浓度在2 - 3月最高。CMAQ不复制任何月份测量的WSOCg的平均日模式。直接排放VOCs氧化形成WSOCg的CMAQ预测更为合理,其中二氧化氮(NO2)和臭氧(O3)的模型技能相对较好(R2 = 0.5和R2 = 0.6);P≈0)。这些发现表明,在CMAQ模拟中,有机气体及其化学性质的表征足以准确预测标准污染物NO2和O3,但不一定能预测产生WSOCg的化学转化,而WSOCg是aqSOA的重要前兆。
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来源期刊
ACS Earth and Space Chemistry
ACS Earth and Space Chemistry Earth and Planetary Sciences-Geochemistry and Petrology
CiteScore
5.30
自引率
11.80%
发文量
249
期刊介绍: The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.
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