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Modelling of the photooxidation of toluene: conceptual ideas for validating detailed mechanisms

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Oxidation of toluene in NO? free air: Product distribution and mechanism
inferredcites →https://doi.org/10.1002/kin.550121102openalex-snapshot
A smog chamber and modeling study of the gas phase NOx–air photooxidation of toluene and the cresols
inferredcites →https://doi.org/10.1002/kin.550190903openalex-snapshot
A structure‐activity relationship for the estimation of rate constants for the gas‐phase reactions of OH radicals with organic compounds
inferredcites →https://doi.org/10.1016/0009-2614(95)00953-2openalex-snapshot
Density functional theory derived intermediates from the OH initiated atmospheric oxidation of toluene
inferredcites →https://doi.org/10.1016/0960-1686(91)90192-aopenalex-snapshot
The nitrate radical: Physics, chemistry, and the atmosphere
inferredcites →https://doi.org/10.1016/1352-2310(95)00069-bopenalex-snapshot
Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: An update
inferredcites →https://doi.org/10.1016/1352-2310(95)00303-gopenalex-snapshot
Photochemical ozone creation potentials for a large number of reactive hydrocarbons under European conditions
inferredcites →https://doi.org/10.1016/s0009-2614(99)01041-6openalex-snapshot
On the formation of benzene oxide/oxepin in the gas-phase reaction of OH radicals with benzene
inferredcites →https://doi.org/10.1016/s0269-7491(97)82779-0openalex-snapshot
Photochemical ozone creation potentials for a large number of reactive hydrocarbons under European conditions
inferredcites →https://doi.org/10.1016/s1352-2310(02)00202-9openalex-snapshot
FT–IR study of the ring-retaining products from the reaction of OH radicals with phenol, o-, m-, and p-cresol
inferredcites →https://doi.org/10.1016/s1352-2310(97)00011-3openalex-snapshot
Atmospheric photooxidation of alkylbenzenes—I. Carbonyl product analyses
inferredcites →https://doi.org/10.1016/s1352-2310(97)88637-2openalex-snapshot
Atmospheric photooxidation of alkylbenzenes—II. Evidence of formation of epoxide intermediates
inferredcites →https://doi.org/10.1016/s1352-2310(98)00053-3openalex-snapshot
Photochemical ozone creation potentials for organic compounds in northwest Europe calculated with a master chemical mechanism
inferredcites →https://doi.org/10.1016/s1352-2310(99)00478-1openalex-snapshot
Ozone and other secondary photochemical pollutants: chemical processes governing their formation in the planetary boundary layer
inferredcites →https://doi.org/10.1016/s1352-2310(99)00486-0openalex-snapshot
Comparison of a 4000-reaction chemical mechanism with the carbon bond IV and an adjusted carbon bond IV-EX mechanism using SMVGEAR II
inferredcites →https://doi.org/10.1021/es00053a028openalex-snapshot
Atmospheric Chemistry of Unsaturated Carbonyls: Butenedial, 4-Oxo-2-pentenal, 3-Hexene-2,5-dione, Maleic Anhydride, 3H-Furan-2-one, and 5-Methyl-3H-furan-2-one
inferredcites →https://doi.org/10.1021/es010676+openalex-snapshot
Characterization of Secondary Aerosol from the Photooxidation of Toluene in the Presence of NOxand 1-Propene
inferredcites →https://doi.org/10.1021/es990469yopenalex-snapshot
Atmospheric Photochemical Degradation of 1,4-Unsaturated Dicarbonyls
inferredcites →https://doi.org/10.1021/j100147a027openalex-snapshot
Kinetic and mechanistic study of the self-reaction of methoxymethylperoxy radicals at room temperature
inferredcites →https://doi.org/10.1021/ja990552lopenalex-snapshot
From Benzene to Muconaldehyde: Theoretical Mechanistic Investigation on Some Tropospheric Oxidation Channels
inferredcites →https://doi.org/10.1021/jp0033972openalex-snapshot
Formation of Peroxy Radicals from OH−Toluene Adducts and O2
inferredcites →https://doi.org/10.1021/jp010152wopenalex-snapshot
Primary and Secondary Glyoxal Formation from Aromatics: Experimental Evidence for the Bicycloalkyl−Radical Pathway from Benzene, Toluene, and p-Xylene
inferredcites →https://doi.org/10.1021/jp015619hopenalex-snapshot
Oxidative Degradation of Benzene in the Troposphere. Theoretical Mechanistic Study of the Formation of Unsaturated Dialdehydes and Dialdehyde Epoxides
inferredcites →https://doi.org/10.1021/jp982719nopenalex-snapshot
Atmospheric Oxidation of Toluene in a Large-Volume Outdoor Photoreactor: In Situ Determination of Ring-Retaining Product Yields
inferredcites →https://doi.org/10.1023/a:1006156132062openalex-snapshot
Primary Product Distribution from the Reaction of Hydroxyl Radicals with Toluene at ppb NOX Mixing Ratios
inferredcites →https://doi.org/10.1039/9781847552310-00065openalex-snapshot
Gas phase tropospheric chemistry of organic compounds
inferredcites →https://doi.org/10.1039/a606152dopenalex-snapshot
Atmospheric chemistry of benzene oxide/oxepin
inferredcites →https://doi.org/10.1039/a904887aopenalex-snapshot
Gas-phase reaction of the OH–benzene adduct with O2: reversibility and secondary formation of HO2
inferredcites →https://doi.org/10.1039/a908365kopenalex-snapshot
Atmospheric chemistry of toluene-1,2-oxide/2-methyloxepin
inferredcites →https://doi.org/10.5194/acp-3-161-2003openalex-snapshot
Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds
inferredcites →https://doi.org/10.5194/acp-3-181-2003openalex-snapshot
Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Reactive Species-Dependent Photocatalytic Toluene Mineralization and Deactivation Pathways
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Air, 6. Photochemical Degradation
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Tropospheric Reaction Chemistry
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Quantum Chemical Approach for Determining Degradation Pathways of Phenol by Electrical Discharge Plasmas
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Enhanced catalytic performance of CoO -CeO2 for synergetic degradation of toluene in multistage sliding plasma system through response surface methodology (RSM)
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Quantifying small molecules in secondary organic aerosol formed during the photo-oxidation of toluene with hydroxyl radicals
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Unsaturated dicarbonyl products from the OH-initiated photo-oxidation of furan, 2-methylfuran and 3-methylfuran
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Atmospheric composition change – global and regional air quality
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Examining the temperature dependence of ethanol (E85) versus gasoline emissions on air pollution with a largely-explicit chemical mechanism
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Sub-μm particle size distributions in a suburban Mediterranean area. Aerosol populations and their possible relationship with HONO mixing ratios
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Simulated impact of NO x on SOA formation from oxidation of toluene and m -xylene
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Formation of secondary organic aerosol from nitrate radical oxidation of phenolic VOCs: Implications for nitration mechanisms and brown carbon formation
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UV/H2O2: An efficient aqueous advanced oxidation process for VOCs removal
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A facile VUV/H2O system without auxiliary substances for efficient degradation of gaseous toluene
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Abatement and degradation pathways of toluene in indoor air by positive corona discharge
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Efficient photocatalytic oxidation of gaseous toluene in a bubbling reactor of water
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2025.106595openalex-snapshot
Prediction of enthalpy of vaporization for particulate matter through molecular dynamics using OPLS force field
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Built-in electric field enabled in carbon-doped Bi3O4Br nanocrystals for excellent photodegradation of PAHs
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Tropospheric Chemistry of Aromatic Compounds Emitted from Anthropogenic Sources
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Measurement of OH and HO 2 in the Troposphere
inferred← citeshttps://doi.org/10.1021/es0713274openalex-snapshot
Experimental Confirmation of the Dicarbonyl Route in the Photo-oxidation of Toluene and Benzene
inferred← citeshttps://doi.org/10.1021/es3002986openalex-snapshot
Aqueous-Phase Secondary Organic Aerosol and Organosulfate Formation in Atmospheric Aerosols: A Modeling Study
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Oxidation of Carboxylic Acids Regenerates Hydroxyl Radicals in the Unpolluted and Nighttime Troposphere
inferred← citeshttps://doi.org/10.1021/jp105467eopenalex-snapshot
Investigation of the Role of Bicyclic Peroxy Radicals in the Oxidation Mechanism of Toluene
inferred← citeshttps://doi.org/10.1021/jp2010327openalex-snapshot
Comprehensive NO-Dependent Study of the Products of the Oxidation of Atmospherically Relevant Aromatic Compounds
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Kinetics Study of the Aromatic Bicyclic Peroxy Radical + NO Reaction: Overall Rate Constant and Nitrate Product Yield Measurements
inferred← citeshttps://doi.org/10.1021/jp500077fopenalex-snapshot
Atmospheric Oxidation Mechanism of Toluene
inferred← citeshttps://doi.org/10.1021/jp806841topenalex-snapshot
Primary Atmospheric Oxidation Mechanism for Toluene
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An analysis of the chemical processes in the smoke plume from a savanna fire
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Photodegradation of toluene over TiO2–xNx under visible light irradiation
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Thermal stability of carbonyl radicals : Part II. Reactions of methylglyoxyl and methylglyoxylperoxy radicals at 1 bar in the temperature range 275–311 K
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Homogeneous nucleation of n-nonane and n-propanol mixtures: A comparison of classical nucleation theory and experiments
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Simulating the Formation of Secondary Organic Aerosol from the Photooxidation of Toluene
inferred← citeshttps://doi.org/10.1071/en15129openalex-snapshot
Dialkylsulfate formation in sulfuric acid-seeded secondary organic aerosol produced using an outdoor chamber under natural sunlight
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FORMATION OF OXYGENATED-POLYCYCLIC AROMATIC COMPOUNDS IN AEROSOL FROM THE PHOTO-OXIDATION OFo-TOLUALDEHYDE
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Air Quality in Selected Megacities
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Simulation of toluene decomposition in a pulse-periodic discharge operating in a mixture of molecular nitrogen and oxygen
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Reaction Steps in Heterogeneous Photocatalytic Oxidation of Toluene in Gas Phase—A Review
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Oxidative capacity of the Mexico City atmosphere – Part 2: A RO x radical cycling perspective
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The production and persistence of ΣRONO 2 in the Mexico City plume
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Simulation of aromatic SOA formation using the lumping model integrated with explicit gas-phase kinetic mechanisms and aerosol-phase reactions
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Atmospheric photochemistry of aromatic hydrocarbons: OH budgets during SAPHIR chamber experiments
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Mapping gas-phase organic reactivity and concomitant secondary organic aerosol formation: chemometric dimension reduction techniques for the deconvolution of complex atmospheric data sets
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Gas–particle partitioning of toluene oxidation products: an experimental and modeling study
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Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds
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Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds
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Measurements of photo-oxidation products from the reaction of a series of alkyl-benzenes with hydroxyl radicals during EXACT using comprehensive gas chromatography
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Evaluation of detailed aromatic mechanisms (MCMv3 and MCMv3.1) against environmental chamber data
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