chemical transport model

化学输运模型
  • 文章类型: Journal Article
    野火产生的烟雾对附近和远处社区的健康构成重大威胁。为了减轻野火的程度和潜在损害,规定的焚烧技术通常被用作土地管理工具;然而,他们引入了自己与烟雾有关的风险。这项研究调查了规定火灾对每日平均PM2.5和每日8小时平均O3(MDA8-O3)浓度的影响,并估计了与短期暴露于规定火灾PM2.5和MDA8-O3相关的过早死亡。我们的研究结果表明,在研究领域,规定的火灾对平均每日PM2.5的贡献为0.94±1.45μg/m3(平均值±标准偏差),占全年环境PM2.5的14.0%。在广泛的燃烧季节(1月至4月),预计平均每日贡献更高:1.43±1.97μg/m3(占环境PM2.5的20.0%)。此外,在广泛的燃烧季节,规定的燃烧还导致MDA8-O3的年平均增加0.36±0.61ppb(约占环境MDA8-O3的0.8%)和1.3%(0.62±0.88ppb)。我们估计,短期暴露于规定的火灾PM2.5和MDA8-O3可能导致2665例(95%置信区间(CI):2249-3080)和233例(95%CI:148-317)超额死亡,分别。这些结果表明,规定烧伤产生的烟雾会增加死亡率。然而,避免这种烧伤可能会增加野火的风险;因此,野火和规定火灾对健康影响之间的权衡,包括发病率,在未来的研究中需要考虑。
    Smoke from wildfires poses a substantial threat to health in communities near and far. To mitigate the extent and potential damage of wildfires, prescribed burning techniques are commonly employed as land management tools; however, they introduce their own smoke-related risks. This study investigates the impact of prescribed fires on daily average PM2.5 and maximum daily 8-h averaged O3 (MDA8-O3) concentrations and estimates premature deaths associated with short-term exposure to prescribed fire PM2.5 and MDA8-O3 in Georgia and surrounding areas of the Southeastern US from 2015 to 2020. Our findings indicate that over the study domain, prescribed fire contributes to average daily PM2.5 by 0.94 ± 1.45 μg/m3 (mean ± standard deviation), accounting for 14.0% of year-round ambient PM2.5. Higher average daily contributions were predicted during the extensive burning season (January-April): 1.43 ± 1.97 μg/m3 (20.0% of ambient PM2.5). Additionally, prescribed burning is also responsible for an annual average increase of 0.36 ± 0.61 ppb in MDA8-O3 (approximately 0.8% of ambient MDA8-O3) and 1.3% (0.62 ± 0.88 ppb) during the extensive burning season. We estimate that short-term exposure to prescribed fire PM2.5 and MDA8-O3 could have caused 2665 (95% confidence interval (CI): 2249-3080) and 233 (95% CI: 148-317) excess deaths, respectively. These results suggest that smoke from prescribed burns increases the mortality. However, refraining from such burns may escalate the risk of wildfires; therefore, the trade-offs between the health impacts of wildfires and prescribed fires, including morbidity, need to be taken into consideration in future studies.
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  • 文章类型: Journal Article
    2022年新墨西哥州的野火美国,在规模和强度上与该州过去的野火相比都是无与伦比的,导致空气质量差和栖息地和生计的灾难性损失。在2022年新墨西哥州的所有野火中,根据燃烧面积的大小及其与人口稠密地区的距离,我们选择了六场野火进行研究。这些火灾约占2022年新墨西哥州总燃烧面积的90%。我们使用区域化学传输模型和数据融合技术来量化这六个野火(4月6日至8月22日)对颗粒物(PM2.5:直径≤2.5μm)和臭氧(O3)浓度的贡献,以及短期暴露对健康的相关影响。我们估计,这六场野火向大气排放了15.2万吨PM2.5和28.7万吨挥发性有机化合物。我们估计,新墨西哥州的平均每日野火烟雾PM2.5为0.3μg/m3,尽管圣达菲附近1小时的最大值超过120μg/m3。在新墨西哥州的研究期间,平均野火烟雾的最大日平均8小时O3(MDA8-O3)贡献为0.2ppb。然而,在该州1小时内,圣达菲附近的某些地方的最大烟雾O3超过60ppb。估计这六场野火的短期暴露于野火PM2.5和MDA8-O3的全因超额死亡率为18(95%置信区间(CI),15-21)和4(95%CI:3-6)例死亡。此外,我们估计野火PM2.5是导致171例(95%:124-217)哮喘急诊就诊过量病例的原因.我们的发现强调了野火对空气质量和人类健康风险的影响,预计会随着全球变暖而加剧,即使当地人为排放量下降。
    The 2022 wildfires in New Mexico, United States, were unparalleled compared to past wildfires in the state in both their scale and intensity, resulting in poor air quality and a catastrophic loss of habitat and livelihood. Among all wildfires in New Mexico in 2022, six wildfires were selected for our study based on the size of the burn area and their proximity to populated areas. These fires accounted for approximately 90 % of the total burn area in New Mexico in 2022. We used a regional chemical transport model and data-fusion technique to quantify the contribution of these six wildfires (April 6 to August 22) on particulate matter (PM2.5: diameter ≤ 2.5 μm) and ozone (O3) concentrations, as well as the associated health impacts from short-term exposure. We estimated that these six wildfires emitted 152 thousand tons of PM2.5 and 287 thousand tons of volatile organic compounds to the atmosphere. We estimated that the average daily wildfire smoke PM2.5 across New Mexico was 0.3 μg/m3, though 1 h maximum exceeded 120 μg/m3 near Santa Fe. Average wildfire smoke maximum daily average 8-h O3 (MDA8-O3) contribution was 0.2 ppb during the study period over New Mexico. However, over the state 1 h maximum smoke O3 exceeded 60 ppb in some locations near Santa Fe. Estimated all-cause excess mortality attributable to short term exposure to wildfire PM2.5 and MDA8-O3 from these six wildfires were 18 (95 % Confidence Interval (CI), 15-21) and 4 (95 % CI: 3-6) deaths. Additionally, we estimate that wildfire PM2.5 was responsible for 171 (95 %: 124-217) excess cases of asthma emergency department visits. Our findings underscore the impact of wildfires on air quality and human health risks, which are anticipated to intensify with global warming, even as local anthropogenic emissions decline.
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  • 文章类型: Journal Article
    这项研究是在大多伦多和汉密尔顿地区(GTHA)进行的,在整个道路网络中分配商用车辆的运动。对温室气体(GHG)排放的影响,空气质量,和健康是通过环境正义的视角进行检查的。光的电气化-,medium-,对重型卡车进行了评估,以确定与最弱势社区的最高利益相关的情景。使用空间和时间解析的商用车辆运动和化学传输模型,电动卡车情景下空气污染物浓度的变化估计为1-km2分辨率。重型卡车电气化将环境黑碳和二氧化氮平均减少10%和14%,分别,温室气体排放量减少10.5%。与轻型和中型电气化(每例不到150例)相比,由于细颗粒物长期暴露(每年约200例)而导致的过早死亡率降低最高。据估计,GTHA的所有交通负担每年约为600例。电气化的好处主要在具有高度社会劣势的社区中积累,以安大略省边际化指数衡量,缩小与交通相关的空气污染暴露的差距。与重型卡车电气化相关的好处反映了柴油货运的不利影响,并突出了该部门电气化所带来的共同利益。
    This study was set in the Greater Toronto and Hamilton Area (GTHA), where commercial vehicle movements were assigned across the road network. Implications for greenhouse gas (GHG) emissions, air quality, and health were examined through an environmental justice lens. Electrification of light-, medium-, and heavy-duty trucks was assessed to identify scenarios associated with the highest benefits for the most disadvantaged communities. Using spatially and temporally resolved commercial vehicle movements and a chemical transport model, changes in air pollutant concentrations under electric truck scenarios were estimated at 1-km2 resolution. Heavy-duty truck electrification reduces ambient black carbon and nitrogen dioxide on average by 10 and 14%, respectively, and GHG emissions by 10.5%. It achieves the highest reduction in premature mortality attributable to fine particulate matter chronic exposure (around 200 cases per year) compared with light- and medium-duty electrification (less than 150 cases each). The burden of all traffic in the GTHA was estimated to be around 600 cases per year. The benefits of electrification accrue primarily in neighborhoods with a high social disadvantage, measured by the Ontario Marginalization Indices, narrowing the disparity of exposure to traffic-related air pollution. Benefits related to heavy-duty truck electrification reflect the adverse impacts of diesel-fueled freight and highlight the co-benefits achieved by electrifying this sector.
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  • 文章类型: Journal Article
    已发现羟基甲磺酸盐(HMS)是京津冀(BTH)地区丰富的有机硫气溶胶化合物,冬季测得的最大日平均浓度高达10μg/立方米。然而,气溶胶中HMS的生产介质是有争议的,尚不清楚化学传输模型是否能够捕获单个雾霾事件期间HMS的变化。在这项工作中,我们在嵌套网格GEOS-Chem化学输运模型中修改了HMS化学的参数化,他们的模拟很好地说明了冬季雾霾事件期间的现场测量结果。我们发现在北京冬季,水性气溶胶途径对总HMS的贡献约为36%,主要是由于离子强度对溶解的甲醛和亚硫酸盐之间的反应速率常数的增强作用。我们的模拟表明,在不久的将来,HMS与无机硫酸盐的比率将从基线的7%增加到13%。考虑到BTH地区雄心勃勃的清洁空气和气候缓解政策。与NH3相比,SO2和NOx排放的减少速度更快,从而改变了大气酸度,这是导致HMS在微粒硫物种中重要性上升的关键因素。
    Hydroxymethanesulfonate (HMS) has been found to be an abundant organosulfur aerosol compound in the Beijing-Tianjin-Hebei (BTH) region with a measured maximum daily mean concentration of up to 10 μg per cubic meter in winter. However, the production medium of HMS in aerosols is controversial, and it is unknown whether chemical transport models are able to capture the variations of HMS during individual haze events. In this work, we modify the parametrization of HMS chemistry in the nested-grid GEOS-Chem chemical transport model, whose simulations provide a good account of the field measurements during winter haze episodes. We find the contribution of the aqueous aerosol pathway to total HMS is about 36% in winter in Beijing, due primarily to the enhancement effect of the ionic strength on the rate constants of the reaction between dissolved formaldehyde and sulfite. Our simulations suggest that the HMS-to-inorganic sulfate ratio will increase from the baseline of 7% to 13% in the near future, given the ambitious clean air and climate mitigation policies for the BTH region. The more rapid reductions in emissions of SO2 and NOx compared to NH3 alter the atmospheric acidity, which is a critical factor leading to the rising importance of HMS in particulate sulfur species.
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  • 文章类型: Journal Article
    区域背景臭氧(O3_RBG)是地表臭氧(O3)的重要组成部分。然而,由于常用的化学输运模型(CTM)和统计模型的固有缺陷,准确评估中国的O3_RBG具有挑战性。在这项研究中,我们用CTM-蛮力法(BFM)计算了O3_RBG浓度,并用多元线性回归(MLR)模型对O3的现场观测结果进行了约束。2020年中国不同地区的年平均O3_RBG浓度为35±4ppb,占最大8小时平均O3(MDA8O3)的81±5%。我们应用了基于气象标准化技术的随机森林和Shapley加性解释,以分离气象学和自然排放对O3_RBG的贡献。自然排放对不同地区的O3_RBG贡献更大(30-40ppb),在温暖的季节贡献更大。气象因素在春季和夏季显示出更高的平均贡献(2-3ppb),有负面贡献。温度和湿度是中国严重O3污染地区O3_RBG的主要贡献者,在不同季节,它们的影响占所有气象因素总影响的30%至62%。对于政策影响,我们跟踪了不同O3浓度下O3_RBG的贡献和局部光化学反应贡献(O3_LC)。我们发现,在污染日,O3_LC对MDA8O3的贡献超过45%,支持当前中国通过减少前体排放来降低O3峰值浓度的政策。然而,由于政策中未考虑O3_RBG的贡献,我们可能需要额外的努力,可能是减少的两倍,达到预期的O3浓度水平。随着我国O3控制措施的不断深入,O3_RBG的贡献将越来越大,强调需要加强对O3_RBG和区域联合防治的重视。
    Regional background ozone (O3_RBG) is an important component of surface ozone (O3). However, due to the uncertainties in commonly used Chemical Transport Models (CTMs) and statistical models, accurately assessing O3_RBG in China is challenging. In this study, we calculated the O3_RBG concentrations with the CTM - Brute Force Method (BFM) and constrained the results with site observations of O3 with the multiple linear regression (MLR) model. The annual average O3_RBG concentration in China region in 2020 is 35 ± 4 ppb, accounting for 81 ± 5 % of the maximum 8-h average O3 (MDA8 O3). We applied the random forest and Shapley additive explanations based on meteorological standardization techniques to separate the contributions of meteorology and natural emissions to O3_RBG. Natural emissions contribute more significantly to O3_RBG than meteorology in various Chineses regions (30-40 ppb), with higher contributions during the warm season. Meteorological factors show higher contributions in the spring and summer seasons (2-3 ppb) than the other seasons. Temperature and humidity are the primary contributors to O3_RBG in regions with severe O3 pollution in China, with their individual impacts ranging from 30 % to 62 % of the total impacts of all meteorological factors in different seasons. For policy implications, we tracked the contributions of O3_RBG and local photochemical reaction contributions (O3_LC) to total O3 concentration at different O3 levels. We found that O3_LC contribute over 45 % to MDA8 O3 on polluted days, supporting the current Chinese policy of reducing O3 peak concentrations by cutting down precursor emissions. However, as the contribution of O3_RBG is not considered in the policy, additional efforts are needed to achieve the control groal of O3 concentration. As the implementation of stringent O3 control measurements in China, the contribution of O3_RBG become increasingly significant, suggesting the need for attention to O3_RBG and regional joint prevention and control.
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  • 文章类型: Journal Article
    在过去十年中,中国的地表臭氧(O3)浓度大幅增加。准确了解O3污染的演变对于制定有效的监管政策至关重要。在这里,我们整合了基于数据和过程的模型,以探索2015-2021年华北平原(NCP)夏季表面O3变化的驱动因素。深度学习(DL)的基于数据的模型表明气象对观测到的O3变化的贡献相反,即,2015-2019年为0.14ppb/y,2019-2021年为-1.74ppb/y。这主要是由于地面空气温度和相对湿度的气象变量的反向变化所致。来自全球化学传输模型的模拟,GEOS-Chem,也支持这些结果,即,气象对O3变化的贡献在2015-2019年为0.26ppb/y,在2019-2021年为-0.74ppb/y。此外,我们的分析表明,人为对地表O3上升的贡献可能减弱,例如,按DL计算,2015-2019年和2019-2021年分别为1.53和0.54ppb/y。同样,GEOS-Chem模拟表明,由二氧化氮(NO2)浓度下降驱动的表面O3浓度加速下降,即,2015-2019年和2019-2021年分别约为0.4和1.2ppb。气象和人为贡献的综合影响导致2019-2021年地表O3浓度显着下降-1.20ppb/y。这项工作的发现为减轻中国的O3污染提供了有价值的见解。
    Surface ozone (O3) concentrations in China have increased largely in the past decade. An accurate understanding of O3 pollution evolution is critical for making effective regulatory policies. Here we integrate data- and process-based models to explore the drivers of the observed summertime surface O3 change in the North China Plain (NCP) over 2015-2021. The data-based model by the deep learning (DL) suggests the reverse of meteorological contributions to the observed O3 change, i.e., 0.14 ppb/y in 2015-2019 and -1.74 ppb/y in 2019-2021. This is mainly resulted from the reversed changes in meteorological variables in surface air temperature and relative humidity. The simulations from a global chemical transport model, GEOS-Chem, also support those results, i.e., the meteorological contribution to O3 changes are 0.26 ppb/y in 2015-2019 and -0.74 ppb/y in 2019-2021. Furthermore, our analysis exhibits possible weakened anthropogenic contributions to surface O3 rise, for example, 1.53 and 0.54 ppb/y by DL in 2015-2019 and 2019-2021, respectively. Similarly, GEOS-Chem simulations suggest an accelerated decrease in surface O3 concentrations driven by the decline in nitrogen dioxide (NO2) concentrations, i.e., approximately 0.4 and 1.2 ppb in 2015-2019 and 2019-2021, respectively. The combined effects of meteorological and anthropogenic contributions led to a significant decrease in surface O3 concentrations by -1.20 ppb/y in 2019-2021. The findings in this work offer valuable insights to mitigate O3 pollution in China.
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  • 文章类型: Journal Article
    目标:该研究估计了由于人口长期暴露于德国硬煤和褐煤发电厂的二氧化氮(NO2)和细颗粒物(PM2.5)排放而造成的环境负担(EBD)2015年。方法:使用化学迁移模型对燃煤电厂对总空气污染物浓度的贡献进行建模,然后将其与人口数据相结合以评估相应的人口暴露。我们计算了生命损失的年份(YLL),多年的残疾生活,或不同健康结局的残疾调整寿命年,有强有力的证据表明与暴露相关。结果:褐煤PM2.5排放的疾病负担是硬煤排放的1.2倍(7,866YLL比6,412YLL)。褐煤的NO2排放,造成的疾病负担是硬煤NO2排放的2.3倍(13,537YLL与5,906YLL相比)。这两种污染物的EBD主要是心血管系统疾病。结论:放弃燃煤电厂发电将降低德国的疾病负担。
    Objectives: The study estimated the environmental burden of disease (EBD) attributable to a long-term exposure of the population to nitrogen dioxide (NO2) and fine particulate matter (PM2.5) emissions from hard coal- and lignite-fired power plants in Germany for the year 2015. Methods: The contribution of coal-fired power plants to the total air pollutant concentration was modelled using a chemical transport model and then combined with population data to assess the corresponding population exposure. We calculated years of life lost (YLL), years of life with disability, or disability-adjusted life years for different health outcomes with a strong evidence for an association with the exposure. Results: The burden of disease from PM2.5 emissions from lignite is 1.2 times higher than that from hard coal emissions (7,866 YLL compared to 6,412 YLL). NO2 emissions from lignite, cause a burden of disease 2.3 times higher than hard coal NO2-emission (13,537 YLL compared to 5,906 YLL). The EBD for both pollutants is dominated by diseases of the cardiovascular system. Conclusion: Abandoning energy generation by coal-fired power plants would lower the burden of disease in Germany.
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  • 文章类型: Journal Article
    亚硝酸(HONO)在年夜气中羟基自由基(OH)的预算中起着重要的感化。然而,由于缺乏高分辨率的主要HONO排放清单,当前的化学迁移模型(CTM)通常会低估HONO的环境浓度。为了解决这个问题,我们已经为广东省的CTM建立了高度解决的自下而上的HONO排放清单,利用国内现有的最佳实测排放因子和新获得的活动数据。我们的结果表明,2020年各种来源的排放,包括土壤,道路交通,非道路交通,生物质燃烧,和静止燃烧,估计为21.5、10.0、8.2、2.5和0.7kt,分别。值得注意的是,珠江三角洲(PRD)和非PRD地区的HONO排放结构有所不同。具体来说,交通来源是珠三角HONO排放的主要贡献者(62%),而非珠三角地区的土壤来源占多数(65%)。在道路交通来源中,柴油车发挥了重要作用,贡献99.7%。与以前方法的比较表明,柴油车的HONO排放被低估了大约2.5倍。更高的HONO排放,以土壤排放为主,在夏季观察到,尤其是在8月。此外,柴油车辆排放在夜间公布,可能导致夜间HONO的积累和OH的早晨高峰。本研究中开发的排放清单可以直接应用于广泛使用的CTM,例如CMAQ,CAMx,WRF-Chem,和NAQPMS,支持OH形成和二次空气污染的模拟。
    Nitrous acid (HONO) plays an important role in the budget of hydroxyl radical (OH) in the atmosphere. However, current chemical transport models (CTMs) typically underestimate ambient concentrations of HONO due to a dearth of high resolution primary HONO emission inventories. To address this issue, we have established a highly resolved bottom-up HONO emission inventory for CTMs in Guangdong province, utilizing the best available domestic measured emission factors and newly obtained activity data. Our results indicate that emissions from various sources in 2020, including soil, on-road traffic, non-road traffic, biomass burning, and stationary combustion, were estimated at 21.5, 10.0, 8.2, 2.5, and 0.7 kt, respectively. Notably, the HONO emissions structure differed between the Pearl River Delta (PRD) and the non-PRD regions. Specifically, traffic sources were the dominant contributors (62 %) to HONO emissions in the PRD, whereas soil sources accounted for the majority (65 %) of those in the non-PRD. Among on-road traffic sources, diesel vehicles played a significant role, contributing 99.7 %. Comparisons with previous methods suggest that HONO emissions from diesel vehicles are underestimated by approximately 2.5 times. Higher HONO emissions, dominated by soil emissions, were observed in summer months, particularly in August. Furthermore, diesel vehicle emissions were pronounced at night, likely contributing to the nighttime accumulation of HONO and the morning peak of OH. The emission inventories developed in this study can be directly applied to widely used CTMs, such as CMAQ, CAMx, WRF-Chem, and NAQPMS, to support the simulation of OH formation and secondary air pollution.
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  • 文章类型: Journal Article
    在这项研究中,我们根据日本政府提供的社会经济模型的结果,在引入净零碳技术后,估计了2050年日本主要空气污染物的未来排放清单。结果表明,引入净零碳技术将有助于减少50-60%的主要NOx,SO2和CO的排放量以及挥发性有机化合物(VOCs)和PM2.5的初级排放量减少约30%。2050年估计的排放清单和未来的气象条件被用作化学运输模型的输入。评估了涉及全球变暖相对温和(RCP4.5)的未来减排策略应用的情景。结果表明,采用净零碳减排策略后,对流层臭氧(O3)浓度较2015年大幅降低。另一方面,由于短波辐射的增加导致二次气溶胶形成的增长,预计2050年情景下的细颗粒物(PM2.5)浓度将相等或更高。最后,分析了2015年至2050年的过早死亡率变化,净零碳技术导致的空气质量变化将导致日本过早死亡人数减少约4000人。
    In this study, we estimated the future emission inventory of primary air pollutants in Japan in 2050 after introducing low-carbon technology based on the results of the socio-economic model provided by the Japanese government. The results suggested that introducing net-zero carbon technology would contribute to a 50-60 % decrease in primary NOx, SO2, and CO emissions and a ~30 % decrease in primary emissions of volatile organic compounds (VOCs) and PM2.5. The estimated emission inventory and future meteorological conditions in 2050 were applied as inputs to a chemical transport model. A scenario involving the application of future reduction strategies with relatively moderate global warming (RCP4.5) was evaluated. The results showed that the concentration of tropospheric ozone (O3) was highly reduced compared with that in 2015 after applying net-zero carbon reduction strategies. On the other hand, the fine particulate matter (PM2.5) concentration under the 2050 scenario was expected to be equal or higher because of the growth in secondary aerosol formation caused by the increase in short-wave radiation. Finally, the premature mortality change from 2015 to 2050 was analyzed, and the change in air quality contributed by net-zero carbon technology will contribute to a ~4000 decrease in premature deaths in Japan.
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  • 文章类型: Journal Article
    化学输运模型模拟准确的气象和化学过程的能力取决于物理参数化和气象输入数据的质量,例如初始/边界条件。在这项研究中,结合化学的天气研究和预报模型(WRF-Chem)用于测试PM2.5预测对行星边界层(PBL)参数化方案的敏感性(YSU,MYJ,MYNN,ACM2和Boulac)和气象初始/边界条件(FNL,ERA-临时,GDAS,和NCMRWF)在印度恒河平原(德里,旁遮普,哈里亚纳邦,北方邦,和拉贾斯坦邦)在冬季期间(2017年12月至2018年1月)。目的是选择用于模拟PM2.5的模型配置,该模型配置显示出最低的误差并且与观察到的数据最佳吻合。使用ERA和GDAS数据集的初始/边界条件以及本地PBL参数化(MYJ和MYNN)可以获得最佳结果。还发现,PM2.5浓度对初始/边界条件的变化相对较不敏感,但相比之下,对PBL方案的变化具有更强的敏感性。此外,模拟PM2.5对PBL方案选择的敏感性在一天中的污染时段(傍晚至清晨)更大,而气象输入数据的选择在一天中更加统一和柔和。这项工作表明了在未来空气质量模拟的初始/边界条件数据集和PBL参数化方案的选择方面的最佳模型设置。它还强调了通过化学传输模型选择PBL方案相对于选择模拟PM2.5的气象数据集的重要性。
    The ability of a chemical transport model to simulate accurate meteorological and chemical processes depends upon the physical parametrizations and quality of meteorological input data such as initial/boundary conditions. In this study, weather research and forecasting model coupled with chemistry (WRF-Chem) is used to test the sensitivity of PM2.5 predictions to planetary boundary layer (PBL) parameterization schemes (YSU, MYJ, MYNN, ACM2, and Boulac) and meteorological initial/boundary conditions (FNL, ERA-Interim, GDAS, and NCMRWF) over Indo-Gangetic Plain (Delhi, Punjab, Haryana, Uttar Pradesh, and Rajasthan) during the winter period (December 2017 to January 2018). The aim is to select the model configuration for simulating PM2.5 which shows the lowest errors and best agreement with the observed data. The best results were achieved with initial/boundary conditions from ERA and GDAS datasets and local PBL parameterization (MYJ and MYNN). It was also found that PM2.5 concentrations are relatively less sensitive to changes in initial/boundary conditions but in contrast show a stronger sensitivity to changes in the PBL scheme. Moreover, the sensitivity of the simulated PM2.5 to the choice of PBL scheme is more during the polluted hours of the day (evening to early morning), while that to the choice of the meteorological input data is more uniform and subdued over the day. This work indicates the optimal model setup in terms of choice of initial/boundary conditions datasets and PBL parameterization schemes for future air quality simulations. It also highlights the importance of the choice of PBL scheme over the choice of meteorological data set to the simulated PM2.5 by a chemical transport model.
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