Simulated impact of NO x on SOA formation from oxidation of toluene and m -xylene

Xu, Jialu; Griffin, Robert J.; Liu, Ying; Nakao, Shunsuke; Cocker, David R.

doi:10.1016/j.atmosenv.2014.11.008

Cited by 37 publications

(29 citation statements)

References 43 publications

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“…However, the Caltech Atmospheric Chemistry Mechanism (CACM) (Griffin et al 2002) seeks to balance chemical detail with computational demand and serves as the host chemical mechanism for this work. The CACM has been updated several times since its initial development (Griffin et al 2005;Jordan et al 2008;Xu et al 2015;Dawson et al 2016). The equations in this mechanism describe the time rate of change of concentrations of all relevant species; these are based on kinetic rate equations.…”

Section: Gas-phase Chemical Mechanismmentioning

confidence: 99%

“…The version used here is that described by Dawson et al (2016), which has a specific focus on aromatic gasphase chemistry associated with toluene and m-xylene, as described by Xu et al (2015). In its current application, the mechanism describes 606 reactions, 200 stable chemical species (meaning that differential equations are solved to determine their concentrations), and 84 radical species for which pseudo-steady state is assumed (Dawson et al 2016).…”

Section: Gas-phase Chemical Mechanismmentioning

confidence: 99%

“…The mass remaining in the gas-phase is redistributed to the original CACM species to allow further participation in gas-phase chemistry. This methodology inherently does not consider particlephase reactions, but this is overcome using vapor pressure adjustments to match chamber experimental data (Xu et al 2015). The combined and updated CACM-MPMPO (termed aroCACM/MPMPO 1.0) as described and implemented by Dawson et al (2016) is used here.…”

Section: Gas-particle Partioning Modulementioning

confidence: 99%

“…The evaluation of CACM/MPMPO has been described in detail in previous publications. This includes both 0D (Xu et al 2015) and 3D applications (Griffin et al 2002;Pun et al 2002;Griffin et al 2005;Dawson et al 2016).…”

Section: Three-dimensional Air Quality Modelmentioning

confidence: 99%

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Simulated sensitivity of secondary organic aerosol in the South Coast Air Basin of California to nitrogen oxides and other chemical parameters

Griffin

Dawson

Dabdub

2018

Aerosol Science and Technology

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Sensitivity of secondary organic aerosol (SOA) concentrations in the South Coast Air Basin (SoCAB) of California to nitrogen oxide (NO x) emission is simulated using gas-phase chemistry and gas-particle partitioning modules. These modules are implemented into a three-dimensional air quality model applied for high-pollution summer meteorology and 2008 emissions. To test sensitivity, NO x emissions in all locations and at all times are scaled by factors ranging from 0.1 to 10.0 in separate model runs. The basin-wide average SOA concentration exhibits a 'turnover' NO x emission multiplicative factor, above and below which the average SOA concentration decreases. For the entire SoCAB, this critical NO x emission factor is »0.3; while the magnitude of SOA concentrations changes with time, this peak value (»0.2-0.3) appears to be relatively independent of the hour of the simulated day. When considering individual locations within the SoCAB, this peak factor shows a slightly broader range. Projected emissions for 2023 indicate a decrease in basin-average SOA concentration; the response at individual locations, however, can be either positive or negative, indicating the need for location-specific considerations. Ensembles of module simulations based on parameter values selected using efficient sampling techniques (Latin Hypercube method) are used to identify parameters to which SOA predictions are significantly sensitive. Total SOA predictions are most sensitive (in no particular order) to concentrations of O 3 , unsaturated species formed from the gas-phase oxidation of monoaromatic compounds, and substituted products from long-chain alkane oxidation. Secondary inorganic aerosol species, likely through influencing aerosol liquid water, control at least partially the formation of SOA upwind. In addition, the rate at which unsaturated bicyclic oxidation products of monoaromatic compounds are oxidized by hydroxyl radical impacts significantly SOA prediction. These findings emphasize the need for consideration of long-chain alkanes and monoaromatic species when designing emission control strategies.

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Section: Gas-phase Chemical Mechanismmentioning

confidence: 99%

Section: Gas-phase Chemical Mechanismmentioning

confidence: 99%

Section: Gas-particle Partioning Modulementioning

confidence: 99%

Section: Three-dimensional Air Quality Modelmentioning

confidence: 99%

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Simulated sensitivity of secondary organic aerosol in the South Coast Air Basin of California to nitrogen oxides and other chemical parameters

Griffin

Dawson

Dabdub

2018

Aerosol Science and Technology

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“…previously but the results are inconclusive. A study focusing on the photooxidation of toluene and m-xylene has demonstrated that aerosol yields decrease as NOx level increases (Xu et al, 2015), while another study showed that the SOA yield from photooxidation of isoprene under high-NOx levels is 3 times more important than that measured under low NO2/NO level (Chan et al, 2010). A different study indicated that under wet conditions, high initial NOx levels contribute effectively to SOA formation .…”

mentioning

confidence: 99%

Secondary organic aerosol formation from photooxidation of furan: effects of NOx and humidity

Jiang¹,

Tsona²,

Jia³

et al. 2019

Preprint

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Abstract. Atmospheric furan is a primary and secondary pollutant in the atmosphere, and its emission contributes to the formation of ultrafine particles and ground-level ozone. We investigate the effects of NOx level and humidity on the formation of secondary organic aerosol (SOA) generated from the photooxidation of furan in the presence of NaCl seed particles. The particle mass concentration and size distribution were determined with a scanning mobility particle sizer (SMPS). SOA mass concentration and yield were determined under different NOx and humidity levels. A significant difference is observed both in the SOA mass concentration and SOA yield variation with the initial experimental conditions. Six organic products were identified in the collected SOA by electrospray ionization exactive orbitrap mass spectrometry (ESI-Exactive-Orbitrap MS). The &#8211;COOH, &#8211;OH, &#8211;C=O and NO2 functional groups were assigned in the FTIR spectra and used as the indicator for the mechanism inference. In addition, O3 formation was also observed during the furan-NOx-NaCl photooxidation. Based on the MS analysis, the reaction mechanism was proposed to follow the RO2+NO pathway. A significant amount of carbonyl-rich products was detected in the SOA products from the photooxidation of furan. The SOA mass concentration and yield increase with increasing humidity, because higher aerosol liquid water content brings more aqueous phase reactions. The present study demonstrates the effect of NOx and humidity on SOA formation during the furan-NOx-NaCl photooxidation. Furthermore, the results illustrate the importance of studying SOA formation over a comprehensive range of environmental conditions. Only such evaluations can induce meaningful SOA mechanisms to be implemented in air quality models.

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Probabilistic total PM2.5 emissions from vehicular sources in Australian perspective

Iqbal

Afroze

Rahman

2021

Environ Monit Assess

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Simulated impact of NO x on SOA formation from oxidation of toluene and m -xylene

Cited by 37 publications

References 43 publications

Simulated sensitivity of secondary organic aerosol in the South Coast Air Basin of California to nitrogen oxides and other chemical parameters

Simulated sensitivity of secondary organic aerosol in the South Coast Air Basin of California to nitrogen oxides and other chemical parameters

Secondary organic aerosol formation from photooxidation of furan: effects of NOx and humidity

Probabilistic total PM2.5 emissions from vehicular sources in Australian perspective

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