scholarly journals Aerosol mass yields of selected biogenic volatile organic compounds – a theoretical study with nearly explicit gas-phase chemistry

2019 ◽  
Vol 19 (22) ◽  
pp. 13741-13758
Author(s):  
Carlton Xavier ◽  
Anton Rusanen ◽  
Putian Zhou ◽  
Chen Dean ◽  
Lukas Pichelstorfer ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Gas Phase ◽  
Organic Compounds ◽  
Chemical Mechanism ◽  
Biogenic Volatile Organic Compounds ◽  
Gas Phase Chemistry ◽  
Mass Load ◽  
Volatile Organic ◽  
Phase Chemistry ◽  
Good Agreement

Abstract. In this study we modeled secondary organic aerosol (SOA) mass loadings from the oxidation (by O3, OH and NO3) of five representative biogenic volatile organic compounds (BVOCs): isoprene, endocyclic bond-containing monoterpenes (α-pinene and limonene), exocyclic double-bond compound (β-pinene) and a sesquiterpene (β-caryophyllene). The simulations were designed to replicate an idealized smog chamber and oxidative flow reactors (OFRs). The Master Chemical Mechanism (MCM) together with the peroxy radical autoxidation mechanism (PRAM) were used to simulate the gas-phase chemistry. The aim of this study was to compare the potency of MCM and MCM + PRAM in predicting SOA formation. SOA yields were in good agreement with experimental values for chamber simulations when MCM + PRAM was applied, while a stand-alone MCM underpredicted the SOA yields. Compared to experimental yields, the OFR simulations using MCM + PRAM yields were in good agreement for BVOCs oxidized by both O3 and OH. On the other hand, a stand-alone MCM underpredicted the SOA mass yields. SOA yields increased with decreasing temperatures and NO concentrations and vice versa. This highlights the limitations posed when using fixed SOA yields in a majority of global and regional models. Few compounds that play a crucial role (>95 % of mass load) in contributing to SOA mass increase (using MCM + PRAM) are identified. The results further emphasized that incorporating PRAM in conjunction with MCM does improve SOA mass yield estimation.

scholarly journals Aerosol Mass yields of selected Biogenic Volatile Organic Compounds – a theoretical study with near explicit gas-phase chemistry

2019 ◽  
Author(s):  
Carlton Xavier ◽  
Anton Rusanen ◽  
Putian Zhou ◽  
Chen Dean ◽  
Lukas Pichelstorfer ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Gas Phase ◽  
Organic Compounds ◽  
Chemical Mechanism ◽  
Seed Particle ◽  
Biogenic Volatile Organic Compounds ◽  
Gas Phase Chemistry ◽  
Mass Load ◽  
Volatile Organic ◽  
Phase Chemistry

Abstract. In this study we modeled secondary organic aerosols (SOA) mass loadings from the oxidation (by O3, OH and NO3) of five representative Biogenic Volatile Organic compounds (BVOCs): isoprene, endocyclic bond containing monoterpenes (α-pinene and limonene), exocyclic double bond compound (β-pinene) and a sesquiterpene (β-caryophyllene). The simulations were designed to replicate idealized smog chamber and oxidative flow reactors (OFR). The master chemical mechanism (MCM) together with the peroxy radical autoxidation mechanism (PRAM), were used to simulate the gas-phase chemistry. The aim of this study was to compare the potency of MCM and MCM+PRAM in predicating SOA formation. SOA yields were in good agreement with experimental values for chamber simulations when MCM+PRAM mechanism was applied, while a standalone MCM under-predicted the SOA yields. Compared to experimental yields, the OFR simulations using the MCM+PRAM mechanism over-predicted SOA mass yields for BVOCs oxidized by O3 and OH, probably owing to increased seed particle surface area used in the OFR simulations. SOA yields increased with decreasing temperatures and NO concentrations and vice-versa. This highlights the limitations posed when using fixed SOA yields in a majority of global and regional models. Few compounds that play a crucial role (> 95 % of mass load) in contributing to SOA mass increase (using MCM+PRAM) are identified. The results further emphasized that incorporating PRAM in conjunction with MCM does improve SOA mass yields estimation.

scholarly journals Importance of biogenic volatile organic compounds to acyl peroxy nitrates (APN) production in the southeastern US during SOAS 2013

2019 ◽  
Vol 19 (3) ◽  
pp. 1867-1880 ◽  
Author(s):  
Shino Toma ◽  
Steve Bertman ◽  
Christopher Groff ◽  
Fulizi Xiong ◽  
Paul B. Shepson ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Gas Phase ◽  
Organic Compounds ◽  
Model Simulation ◽  
Statistical Correlation ◽  
Organic Nitrates ◽  
Biogenic Volatile Organic Compounds ◽  
The North ◽  
Southeastern Us ◽  
Volatile Organic

Abstract. Gas-phase atmospheric concentrations of peroxyacetyl nitrate (PAN), peroxypropionyl nitrate (PPN), and peroxymethacryloyl nitrate (MPAN) were measured on the ground using a gas chromatograph electron capture detector (GC-ECD) during the Southern Oxidants and Aerosols Study (SOAS) 2013 campaign (1 June to 15 July 2013) in Centreville, Alabama, in order to study biosphere–atmosphere interactions. Average levels of PAN, PPN, and MPAN were 169, 5, and 9 pptv, respectively, and the sum accounts for an average of 16 % of NOy during the daytime (10:00 to 16:00 local time). Higher concentrations were seen on average in air that came to the site from the urban NOx sources to the north. PAN levels were the lowest observed in ground measurements over the past two decades in the southeastern US. A multiple regression analysis indicates that biogenic volatile organic compounds (VOCs) account for 66 % of PAN formation during this study. Comparison of this value with a 0-D model simulation of peroxyacetyl radical production indicates that at least 50 % of PAN formation is due to isoprene oxidation. MPAN has a statistical correlation with isoprene hydroxynitrates (IN). Organic aerosol mass increases with gas-phase MPAN and IN concentrations, but the mass of organic nitrates in particles is largely unrelated to MPAN.

scholarly journals Quantifying the uncertainty in simulating global tropospheric composition due to the variability in global emission estimates of Biogenic Volatile Organic Compounds

2013 ◽  
Vol 13 (5) ◽  
pp. 2857-2891 ◽  
Author(s):  
J. E. Williams ◽  
P. F. J. van Velthoven ◽  
C. A. M. Brenninkmeijer
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Global Distribution ◽  
Chemical Mechanism ◽  
Biogenic Volatile Organic Compounds ◽  
Atmospheric Measurements ◽  
Large Variability ◽  
Mixing Ratios ◽  
Volatile Organic ◽  
Tropospheric O3

Abstract. The emission of organic compounds from biogenic processes acts as an important source of trace gases in remote regions away from urban conurbations, and is likely to become more important in future decades due to the further mitigation of anthropogenic emissions that affect air quality and climate forcing. In this study we examine the contribution of biogenic volatile organic compounds (BVOCs) towards global tropospheric composition using the global 3-D chemistry transport model TM5 and the recently developed modified CB05 chemical mechanism. By comparing regional BVOC emission estimates we show that biogenic processes act as dominant sources for many regions and exhibit a large variability in the annually and seasonally integrated emission fluxes. By performing sensitivity studies we find that the contribution of BVOC species containing between 1 to 3 carbon atoms has an impact on the resident mixing ratios of tropospheric O3 and CO, accounting for ~2.5% and ~10.8% of the simulated global distribution, respectively. This is approximately a third of the cumulative effect introduced by isoprene and the monoterpenes. By examining an ensemble of 3-D global chemistry transport simulations which adopt different global BVOC emission inventories we determine the associated uncertainty introduced towards simulating the composition of the troposphere for the year 2000. By comparing the model ensemble values against a composite of atmospheric measurements we show that the effects on tropospheric O3 are limited to the lower troposphere (with an uncertainty between −2% to 10%), whereas that for tropospheric CO extends up to the upper troposphere (with an uncertainty of between 10 to 45%). Comparing the mixing ratios for low molecular weight alkenes in TM5 against surface measurements taken in Europe implies that the cumulative emission estimates are too low, regardless of the chosen BVOC inventory. This variability in the global distribution of CO due to BVOC emissions introduces an associated uncertainty in the tropospheric CO burden of 11.4%, which impacts strongly on the oxidative capacity of the troposphere, introducing an uncertainty in the atmospheric lifetime of the greenhouse gas CH4 of ~3.3%. This study thus identifies the necessity of placing further constraints on non-CH4 global biogenic emission estimates in large-scale global atmospheric chemistry models.

scholarly journals Quantifying the uncertainty in simulating global tropospheric composition due to the variability in global emission estimates of Biogenic Volatile Organic Compounds

2012 ◽  
Vol 12 (11) ◽  
pp. 28765-28836
Author(s):  
J. E. Williams ◽  
P. F. J. van Velthoven ◽  
C. A. M. Brenninkmeijer
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Global Distribution ◽  
Chemical Mechanism ◽  
Biogenic Volatile Organic Compounds ◽  
Atmospheric Measurements ◽  
Large Variability ◽  
Mixing Ratios ◽  
Volatile Organic ◽  
Tropospheric O3

Abstract. The emission of organic compounds from biogenic processes acts as an important source of trace gases in remote regions away from urban conurbations, and is likely to become more important in future decades due to the further mitigation of anthropogenic emissions that affect air quality and climate forcing. In this study we examine the contribution of biogenic volatile organic compounds (BVOCs) towards global tropospheric composition using the global 3-D chemistry transport model TM5 and the recently developed modified CB05 chemical mechanism. By comparing regional BVOC emission estimates we show that biogenic processes act as dominant sources for many regions and exhibit a large variability in the annually and seasonally integrated emission fluxes. By performing sensitivity studies we find that the contribution of BVOC species containing between 1 to 3 carbon atoms has an impact on the resident mixing ratios of tropospheric O3 and CO, accounting for ~3% and ~11% of the simulated global distribution, respectively. This is approximately a third of the cumulative effect introduced by isoprene and the monoterpenes. By examining an ensemble of 3-D global chemistry-transport simulations which adopt different global BVOC emission inventories we determine the associated uncertainty introduced towards simulating the composition of the troposphere for the year 2000. By comparing the model ensemble values against a~composite of atmospheric measurements we show that the effects on tropospheric O3 are limited to the lower troposphere (with an uncertainty between −2% to 10%), whereas that for tropospheric CO extends up to the upper troposphere (with an uncertainty of between 10 to 45%). Comparing the mixing ratios for low molecular weight alkenes in TM5 against surface measurements taken in Europe implies that the cumulative emission estimates are too low, regardless of the chosen BVOC inventory. This variability in the global distribution of CO due to BVOC emissions introduces an associated uncertainty in the tropospheric CO burden of ~11%, which impacts strongly on the oxidative capacity of the troposphere, introducing an uncertainty in the atmospheric lifetime of the greenhouse gas CH4 of ~3%. This study thus identifies the necessity of placing further constraints on non-CH4 global biogenic emission estimates in large-scale global atmospheric chemistry models.

Characterization of biogenic volatile organic compounds (BVOCs) in cleaning reagents and air fresheners in Hong Kong

2011 ◽  
Vol 45 (34) ◽  
pp. 6191-6196 ◽  
Author(s):  
Yu Huang ◽  
Steven Sai Hang Ho ◽  
Kin Fai Ho ◽  
Shun Cheng Lee ◽  
Yuan Gao ◽  
...  
Keyword(s):  
Hong Kong ◽  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Biogenic Volatile Organic Compounds ◽  
Volatile Organic
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