A new condensed toluene mechanism for Carbon Bond: CB05-TU☆

Whitten, G.Z.; Heo, Gookyoung; Kimura, Yosuke; McDonald-Buller, Elena C; Allen, David T.; Carter, William; Yarwood, Greg

doi:10.1016/j.atmosenv.2009.12.029

Cited by 191 publications

(126 citation statements)

References 38 publications

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“…CMAQ v5.0.1 is the most up-to-date release in July 2012. It contains the updated carbon bond gas-phase mechanism with new toluene chemistry (Whitten et al, 2010), a new aerosol module (AERO6) and ISORROPIA v2.1 inorganic chemistry (Fountoukis and Nenes, 2007). The existing formation mechanisms for SNA included in the original CMAQ and new heterogeneous reactions added in the revised CMAQ that form additional SNA are described below.…”

Section: Model Description and Methodologymentioning

confidence: 99%

Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

et al. 2015

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Abstract. Severe regional haze pollution events occurred in eastern and central China in January 2013, which had adverse effects on the environment and public health. Extremely high levels of particulate matter with aerodynamic diameter of 2.5 µm or less (PM 2.5 ) with dominant components of sulfate and nitrate are responsible for the haze pollution. Although heterogeneous chemistry is thought to play an important role in the production of sulfate and nitrate during haze episodes, few studies have comprehensively evaluated the effect of heterogeneous chemistry on haze formation in China by using the 3-D models due to of a lack of treatments for heterogeneous reactions in most climate and chemical transport models. In this work, the WRF-CMAQ model with newly added heterogeneous reactions is applied to East Asia to evaluate the impacts of heterogeneous chemistry and the meteorological anomaly during January 2013 on regional haze formation. As the parameterization of heterogeneous reactions on different types of particles is not well established yet, we arbitrarily selected the uptake coefficients from reactions on dust particles and then conducted several sensitivity runs to find the value that can best match observations. The revised CMAQ with heterogeneous chemistry not only captures the magnitude and temporal variation of sulfate and nitrate, but also reproduces the enhancement of relative contribution of sulfate and nitrate to PM 2.5 mass from clean days to polluted haze days. These results indicate the significant role of heterogeneous chemistry in regional haze formation and improve the understanding of the haze formation mechanisms during the January 2013 episode.

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Section: Model Description and Methodologymentioning

confidence: 99%

Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

et al. 2015

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“…CMAQ uses the information that is provided by the meteorological input fields to calculate transport, transformation, and loss of all gas-phase and particulate species Byun and Schere, 2006). For this study we used the multi-pollutant version with the carbon bond 5 photochemical mechanism cb05tump (Tanaka et al, 2003;Yarwood et al, 2005;Sarwar et al, 2007;Whitten et al, 2010) and the aerosol module aero6 (Appel et al, 2013;Carlton et al, 2010;Foley et al, 2010). Deposition schemes are based on Byun and Schere (2006) for dry and Pleim and Ran (2011) for wet deposition.…”

Section: Cclm-cmaqmentioning

confidence: 99%

Multi-model study of mercury dispersion in the atmosphere: vertical and interhemispheric distribution of mercury species

et al. 2017

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Abstract. Atmospheric chemistry and transport of mercury play a key role in the global mercury cycle. However, there are still considerable knowledge gaps concerning the fate of mercury in the atmosphere. This is the second part of a model intercomparison study investigating the impact of atmospheric chemistry and emissions on mercury in the atmosphere. While the first study focused on ground-based observations of mercury concentration and deposition, here we investigate the vertical and interhemispheric distribution and speciation of mercury from the planetary boundary layer to the lower stratosphere. So far, there have been few model studies investigating the vertical distribution of mercury, mostly focusing on single aircraft campaigns. Here, we present a first comprehensive analysis based on various aircraft observations in Europe, North America, and on intercontinental flights.The investigated models proved to be able to reproduce the distribution of total and elemental mercury concentrations in the troposphere including interhemispheric trends. One key aspect of the study is the investigation of mercury oxidation in the troposphere. We found that different chemistry schemes were better at reproducing observed oxidized mercury patterns depending on altitude. High concentrations of oxidized mercury in the upper troposphere could be reproduced with oxidation by bromine while elevated concentrations in the lower troposphere were better reproduced by OH and ozone chemistry. However, the results were not always conclusive as the physical and chemical parameterizations in the chemistry transport models also proved to have a substantial impact on model results.

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“…The WRF model configuration included the Morrison doublemoment scheme (Morrison et al, 2009), version 2 of the Kain-Fritsch cumulus scheme (Kain, 2004), the Asymmetric Convective Model version 2 (ACM2) planetary boundary layer (PBL) scheme (Pleim, 2007), the Pleim-Xiu land surface model (Xiu and Pleim, 2001), and the RRTMG shortwave and longwave radiation scheme (Iacono et al, 2008). The CMAQ model was configured using the Carbon Bond 2005 (CB05) chemical mechanism (Yarwood et al, 2005;Whitten et al, 2010) and the sixth-generation CMAQ aerosol module (AERO6) (Appel et al, 2013 (Gantt et al, 2014;He at al., 2015a, b;Glotfelty et al, 2017a, b;Glotfelty and Zhang, 2017) (Appel et al, 2013) using a horizontal resolution of 36 km covered most of China and parts of east Asia. The two-way coupled WRF-CMAQ used the same vertical resolution for WRF and CMAQ, i.e., 23σ layers from the surface to 100 hPa.…”

Section: Model Configurations and Simulation Designmentioning

confidence: 99%

Multi-year downscaling application of two-way coupled WRF v3.4 and CMAQ v5.0.2 over east Asia for regional climate and air quality modeling: model evaluation and aerosol direct effects

Hong

Zhang

et al. 2017

Geosci. Model Dev.

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Abstract. In this study, a regional coupled climatechemistry modeling system using the dynamical downscaling technique was established by linking the global Community Earth System Model (CESM) and the regional twoway coupled Weather Research and Forecasting -Community Multi-scale Air Quality (WRF-CMAQ) model for the purpose of comprehensive assessments of regional climate change and air quality and their interactions within one modeling framework. The modeling system was applied over east Asia for a multi-year climatological application during 2006-2010, driven with CESM downscaling data under Representative Concentration Pathways 4.5 (RCP4.5), along with a short-term air quality application in representative months in 2013 that was driven with a reanalysis dataset. A comprehensive model evaluation was conducted against observations from surface networks and satellite observations to assess the model's performance. This study presents the first application and evaluation of the two-way coupled WRF-CMAQ model for climatological simulations using the dynamical downscaling technique. The model was able to satisfactorily predict major meteorological variables. The improved statistical performance for the 2 m temperature (T2) in this study (with a mean bias of −0.6 • C) compared with the Coupled Model Intercomparison Project Phase 5 (CMIP5) multi-models might be related to the use of the regional model WRF and the bias-correction technique applied for CESM downscaling. The model showed good ability to predict PM 2.5 in winter (with a normalized mean bias (NMB) of 6.4 % in 2013) and O 3 in summer (with an NMB of 18.2 % in 2013) in terms of statistical performance and spatial distributions. Compared with global models that tend to underpredict PM 2.5 concentrations in China, WRF-CMAQ was able to capture the high PM 2.5 concentrations in urban areas. In general, the two-way coupled WRF-CMAQ model performed well for both climatological and air quality applications. The coupled modeling system with direct aerosol feedbacks predicted aerosol optical depth relatively well and significantly reduced the overprediction in downward shortwave radiation at the surface (SWDOWN) over polluted regions in China. The performance of cloud variables was not as good as other meteorological variables, and underpredictions of cloud fraction resulted in overpredictions of SWDOWN and underpredictions of shortwave and longwave cloud forcing. The importance of climate-chemistry interactions was demonstrated via the impacts of aerosol direct effects on climate and air quality. The aerosol effects on climate and air quality inPublished by Copernicus Publications on behalf of the European Geosciences Union. east Asia (e.g., SWDOWN and T2 decreased by 21.8 W m −2 and 0.45 • C, respectively, and most pollutant concentrations increased by 4.8-9.5 % in January over China's major cities) were more significant than in other regions because of higher aerosol loadings that resulted from severe regional pollution, which indicates the need for applying onl...

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A new condensed toluene mechanism for Carbon Bond: CB05-TU☆

Cited by 191 publications

References 38 publications

Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

Heterogeneous chemistry: a mechanism missing in current models to explain secondary inorganic aerosol formation during the January 2013 haze episode in North China

Multi-model study of mercury dispersion in the atmosphere: vertical and interhemispheric distribution of mercury species

Multi-year downscaling application of two-way coupled WRF v3.4 and CMAQ v5.0.2 over east Asia for regional climate and air quality modeling: model evaluation and aerosol direct effects

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