Online citations, reference lists, and bibliographies.
Please confirm you are human
(Sign Up for free to never see this)
← Back to Search

Gas Phase Precursors To Anthropogenic Secondary Organic Aerosol: Using The Master Chemical Mechanism To Probe Detailed Observations Of 1,3,5-trimethylbenzene Photo-oxidation

A. Rickard, K. Wyche, A. Metzger, P. Monks, Arthur Ellis, J. Dommen, U. Baltensperger, M. Jenkin, M. Pilling
Published 2010 · Chemistry

Save to my Library
Download PDF
Analyze on Scholarcy
Share
A detailed gas-phase photochemical chamber box model, incorporating the Master Chemical Mechanism (MCMv3.1) degradation scheme for the model anthropogenic aromatic compound 1,3,5-trimethylbenzene, has been used to simulate data measured during a series of aerosol chamber experiments in order to evaluate the mechanism under a variety of VOC/NOx conditions. The chamber model was used in the interpretation of comprehensive high (mass and time) resolution measurements of 1,3,5-trimethylbenzene and its photo-oxidation products recorded by a Chemical Ionisation Reaction Time-of-Flight Mass Spectrometer (CIR-TOF-MS). Supporting gas and aerosol measurements have also enabled us to explore the ‘missing link’ between the gas and aerosol phases. Model-measurement comparisons have been used to gain insight into the complex array of oxygenated products formed, including the peroxide bicyclic ring opening products (α,β-unsaturated-γ-dicarbonyls and furanones) and the O2-bridged peroxide bicyclic ring-retaining products. To our knowledge this is the first time such high molecular weight species, corresponding to various peroxide bicyclic products represented in the MCMv3.1, have been observed in the gas-phase. The model was also used to give insight into which gas-phase species were participating in SOA formation, with the primary and secondary peroxide products, formed primarily under low NOx conditions, identified as likely candidates.
This paper references
10.1126/SCIENCE.1092185
Identification of Polymers as Major Components of Atmospheric Organic Aerosols
M. Kalberer (2004)
10.5194/ACP-8-6453-2008
Evaluation of 1,3,5 trimethylbenzene degradation in the detailed tropospheric chemistry mechanism, MCMv3.1, using environmental chamber data
A. Metzger (2008)
10.5194/ACP-9-635-2009
Gas phase precursors to anthropogenic secondary organic aerosol: detailed observations of 1,3,5-trimethylbenzene photooxidation
K. Wyche (2008)
10.1021/AC0498260
Demonstration of proton-transfer reaction time-of-flight mass spectrometry for real-time analysis of trace volatile organic compounds.
R. S. Blake (2004)
10.5194/ACP-5-641-2005
Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons
C. Bloss (2004)
10.1071/EN04069
Simulating the Formation of Secondary Organic Aerosol from the Photooxidation of Toluene
D. Johnson (2004)
10.1023/A:1006277328628
Primary Product Distributions from the Reaction of OH with m-, p-Xylene, 1,2,4- and 1,3,5-Trimethylbenzene
D. F. Smith (1999)
10.1080/08958370701866008
Health effects of organic aerosols.
J. Mauderly (2008)
10.1071/EN04079
Simulating the Formation of Secondary Organic Aerosol from the Photooxidation of Aromatic Hydrocarbons
D. Johnson (2005)
10.1016/S1352-2310(96)00105-7
The tropospheric degradation of volatile organic compounds: a protocol for mechanism development
M. Jenkin (1997)
10.1029/2006GL026523
Laboratory observation of oligomers in the aerosol from isoprene/NOx photooxidation
J. Dommen (2006)
European Geosciences Union 2002 Atmospheric Chemistry and Physics Discussions Protocol for the development of the Master Chemical Mechanism , MCM v 3 ( Part B ) : tropospheric degradation of aromatic volatile organic compounds
M. Jenkin (2002)
10.1016/J.ENVSCI.2007.01.005
Reactivity-based strategies for photochemical ozone control in Europe
R. Derwent (2007)
10.1029/1999GL010989
A method for real‐time detection of PAN, PPN and MPAN in ambient air
A. Hansel (2000)
Secondary organic aerosol formation by irradiation of 1 , 3 , 5 - trimethylbenzene - NOx - H 2 O in a new reaction chamber for atmospheric chemistry and physics
D. Paulsen
10.1021/AC048975F
Identification of organic acids in secondary organic aerosol and the corresponding gas phase from chamber experiments.
R. Fisseha (2004)
10.5194/ACP-7-3909-2007
Secondary organic aerosol formation from m-xylene, toluene, and benzene
N. L. Ng (2007)
10.5194/ACP-9-5155-2009
The formation, properties and impact of secondary organic aerosol: current and emerging issues
M. Hallquist (2009)
10.1021/ES0489137
Secondary organic aerosol formation by irradiation of 1,3,5-trimethylbenzene-NOx-H2O in a new reaction chamber for atmospheric chemistry and physics.
D. Paulsen (2005)
10.1021/ES030546W
Simulating organic aerosol formation during the photooxidation of toluene/NOx mixtures: comparing the equilibrium and kinetic assumption.
C. Stroud (2004)
10.1029/97JD03582
The impact of nonmethane hydrocarbon compounds on tropospheric photochemistry
S. Houweling (1998)
10.5194/ACP-5-623-2005
Evaluation of detailed aromatic mechanisms (MCMv3 and MCMv3.1) against environmental chamber data
C. Bloss (2004)
10.1021/JP010152W
Primary and Secondary Glyoxal Formation from Aromatics: Experimental Evidence for the Bicycloalkyl−Radical Pathway from Benzene, Toluene, and p-Xylene
R. Volkamer (2001)
The mechanisms of atmospheric oxidation of aromatic hydrocarbons
J. Calvert (2002)
10.1002/CHIN.200923275
Proton-Transfer Reaction Mass Spectrometry
R. S. Blake (2009)
10.1038/nature04603
Photosensitized reduction of nitrogen dioxide on humic acid as a source of nitrous acid
K. Stemmler (2006)
10.5194/ACP-8-3215-2008
Gas/particle partitioning of carbonyls in the photooxidation of isoprene and 1,3,5-trimethylbenzene
R. Healy (2008)
10.5194/ACP-6-2017-2006
Critical assessment of the current state of scientific knowledge, terminology, and research needs concerning the role of organic aerosols in the atmosphere, climate, and global change
S. Fuzzi (2005)
10.1007/S10874-006-9033-Y
Measurement and investigation of chamber radical sources in the European Photoreactor (EUPHORE)
J. Zádor (2006)
10.5194/ACP-3-1999-2003
Measurements of photo-oxidation products from the reaction of a series of alkyl-benzenes with hydroxyl radicals during EXACT using comprehensive gas chromatography
J. Hamilton (2003)
10.1016/S1352-2310(98)00053-3
Photochemical ozone creation potentials for organic compounds in northwest Europe calculated with a master chemical mechanism
R. Derwent (1998)
10.1016/J.ATMOSENV.2004.06.052
Quantitative assessment of uncertainties for a model of tropospheric ethene oxidation using the European Photoreactor (EUPHORE)
J. Zádor (2005)
10.5194/ACP-3-161-2003
Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds
S. M. Saunders (2002)



This paper is referenced by
10.1016/J.ATMOSENV.2011.12.030
Products and mechanism of the reaction of Cl atoms with unsaturated alcohols
A. Rodríguez (2012)
10.5194/ACP-10-2893-2010
Distribution of gaseous and particulate organic composition during dark α-pinene ozonolysis
M. Camredon (2009)
10.5194/ACP-17-3929-2017
A quantification method for heat-decomposable methylglyoxal oligomers and its application on 1,3,5-trimethylbenzene SOA
M. Rodigast (2017)
10.1039/c3cp44586k
Thermodynamics of oligomer formation: implications for secondary organic aerosol formation and reactivity.
J. DePalma (2013)
10.5094/APR.2014.009
Chemical composition of gas and particle–phase products of OH–initiated oxidation of 1,3,5–trimethylbenzene
Mingqiang Huang (2014)
10.5194/AMT-7-373-2014
A smog chamber comparison of a microfluidic derivatisation measurement of gas-phase glyoxal and methylglyoxal with other analytical techniques
Xiaobing Pang (2013)
10.9734/BJAST/2014/10782
A Review of Household Products Induced Secondary Organic Aerosols Formation in Indoor Environment
J. Adeniran (2014)
10.5094/APR.2015.025
Experimental study of particulate products for aging of 1,3,5–trimethylbenzene secondary organic aerosol
Mingqiang Huang (2015)
10.1021/jp500260f
Synchrotron Photoionization Study of Mesitylene Oxidation Initiated by Reaction with Cl(2P) or O(3P) Radicals.
M. Ng (2014)
10.5194/ACP-18-9329-2018
Estimation of rate coefficients and branching ratios for gas-phase reactions of OH with aromatic organic compounds for use in automated mechanism construction
M. E. Jenkin (2018)
10.1016/j.atmosenv.2019.116955
Role of liquid water in the formation of O3 and SOA particles from 1,2,3-trimethylbenzene
Hao Luo (2019)
10.1016/J.ATMOSENV.2012.09.044
Characterization of secondary organic aerosol particles using aerosol laser time-of-flight mass spectrometer coupled with FCM clustering algorithm
Mingqiang Huang (2013)
10.5194/ACPD-11-22619-2011
Determination of the biogenic secondary organic aerosol fraction in the boreal forest by AMS and NMR measurements
E. Finessi (2011)
10.1016/J.ATMOSENV.2017.01.010
Effects of inorganic seed aerosols on the particulate products of aged 1,3,5-trimethylbenzene secondary organic aerosol
Mingqiang Huang (2017)
10.1186/1476-069X-12-19
Public health impacts of secondary particulate formation from aromatic hydrocarbons in gasoline
Katherine E von Stackelberg (2013)
10.5194/ACP-12-941-2012
Determination of the biogenic secondary organic aerosol fraction in the boreal forest by NMR spectroscopy
E. Finessi (2012)
Chemical characterization of atmospheric secondary organic aerosol of biogenic and anthropogenic origin
E. Tagliavini (2010)
10.1007/s10874-013-9262-9
Effects of inorganic seed aerosols on the growth and chemical composition of secondary organic aerosol formed from OH-initiated oxidation of toluene
Mingqiang Huang (2013)
10.1039/c8cp06437g
Photochemistry of 2-butenedial and 4-oxo-2-pentenal under atmospheric boundary layer conditions.
M. Newland (2019)
10.5194/ACP-16-8729-2016
Model–measurement comparison of functional group abundance in α -pinene and 1,3,5-trimethylbenzene secondary organic aerosol formation
G. Ruggeri (2016)
10.1016/J.APR.2017.08.003
Chemical analysis of particulate products of aged 1,3,5-trimethylbenzene secondary organic aerosol in the presence of ammonia
Mingqiang Huang (2018)
10.1016/J.ATMOSENV.2012.03.062
Modeling secondary organic aerosol formation from xylene and aromatic mixtures using a dynamic partitioning approach incorporating particle aqueous-phase chemistry (II)
Harshal M. Parikh (2012)
10.5194/ACP-18-8571-2018
High summertime aerosol organic functional group concentrations from marine and seabird sources at Ross Island, Antarctica, during AWARE
J. Liu (2018)
Modeling Regional Air Quality Using the Near-Explicit Master Chemical Mechanism
J. Li (2014)
10.5194/ACP-19-7691-2019
Estimation of rate coefficients and branching ratios for reactions of organic peroxy radicals for use in automated mechanism construction
M. E. Jenkin (2019)
- 1-Geosphere Coupling and Hydrothermal Anomalies before the 2009 Mw 6 . 3 1 L ’ Aquila Earthquake in Italy 2
L. X. Wu (2016)
10.5194/ACP-14-7953-2014
Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM
P. Roldin (2014)
10.5194/acp-2020-161
Evaluation of the Chemical Composition of Gas and Particle Phase Products of Aromatic Oxidation
Archit Mehra (2020)
10.5194/NHESS-16-1859-2016
Geosphere coupling and hydrothermal anomalies before the 2009 M w 6.3 L'Aquila earthquake in Italy
L. Wu (2016)
10.1021/jp210946y
Prompt HO2 formation following the reaction of OH with aromatic compounds under atmospheric conditions.
S. Nehr (2012)
10.1002/KIN.20618
Kinetics of the gas‐phase reactions of OH radicals with a series of trimethylphenols
I. Bejan (2012)
10.1016/j.envpol.2018.10.118
Comparison of secondary organic aerosol (SOA) formation during o-, m-, and p-xylene photooxidation.
P. Zhang (2019)
See more
Semantic Scholar Logo Some data provided by SemanticScholar