Secondary organic aerosol formation in air quality models : development of a parameterization based on explicit simulations

L’oxydation gazeuse des composés organiques émis dans l’atmosphère mène à la formation de milliers de composés organiques secondaires (COS). Une fraction de ces COS est peu volatile, et peut se partager entre la phase gazeuse et la phase particulaire formant ainsi des aérosols organiques secondaires (AOS). Les AOS contribuent majoritairement à la composition des particules, participant entre 20 et 80 % à la masse totale des aérosols fins et influencent ainsi leurs impacts sur l’environnement, en particulier sur la qualité de l’air et le climat. Ces impacts sont quantifiés à l’aide de modèles de chimie-transport (CTM). Les comparaisons avec les mesures in situ montrent que les variations spatiales et temporelles de la masse d’AOS ne sont pas correctement simulées par les CTM. Dans ces modèles, la formation d’AOS est représentée de façon simplifiée à l'aide de paramétrisations empiriques développées sur la base d'observations en chambres de simulation atmosphérique. Il est donc primordial de repenser et d’améliorer la représentation des aérosols organiques dans les CTM pour diagnostiquer l’origine de la pollution atmosphérique par les particules fines, améliorer la fiabilité de la prévision des épisodes de pollution et évaluer l'impact des aérosols sur l'environnement. Les objectifs de cette thèse sont de :• explorer l’influence des conditions environnementales sur la formation et les propriétés des AOS,• développer une nouvelle paramétrisation de formation de l’AOS sur la base d’une représentation déterministe de la chimie atmosphérique,• évaluer cette paramétrisation en CTM par comparaison avec des mesures in-situ.Les modèles déterministes permettent de représenter la non-linéarité des processus de formation de l'AOS. Le modèle déterministe GECKO-A (Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) est un outil de modélisation numérique qui intègre les données élémentaires (cinétiques et thermodynamiques) issues des études en laboratoire. Dans le cadre de cette thèse, des scénarios d’oxydation en conditions environnementales ont été développés et GECKO-A a été utilisé pour étudier l’impact des facteurs environnementaux (température, teneur en NOx, ensoleillement...) sur la formation et les propriétés des AOS. Sur la base de ces simulations, une nouvelle paramétrisation pour la formation d’AOS a été développée: VBS-GECKO. L’évaluation de la VBS-GECKO en modèle de boîte a montré une bonne reproduction des concentrations en aérosols organiques (AO) avec une RMSE inférieure à 20%. La VBS-GECKO a été intégrée au CTM CHIMERE pour simuler les concentrations estivales d’AO au dessus de l’Europe. Son utilisation conduit à une sensible amélioration de la masse d’AO simulée par rapport à la paramétrisation de référence utilisée dans CHIMERE. La VBS-GECKO a également été utilisé pour étudier (i) les sources et propriétés des AOS et (ii) différentes représentation des émissions de composés organiques semi-volatils et de volatilité intermédiaire par le trafic routierThe gaseous oxidation of organic compounds emitted into the atmosphere leads to the formation of thousands of secondary organic compounds (SOC). A fraction of these SOC is low volatile, and can partition between the gaseous phase and the particulate phase, forming secondary organic aerosols (SOA). The SOA are a main component of the particles, representing between 20% and 80% of the total mass of fine aerosols. Therefore, SOA contribute to the impact of aerosols on the environment, in particular air quality and climate. The quantification of the SOA impacts is estimated using chemical-transport models (CTM). Comparisons with in situ measurements show that the spatial and temporal variations of SOA mass are not correctly simulated by CTM. In these models, the SOA formation is represented in a simplified way, using empirical parameterizations developed on the basis of observations performed in atmospheric simulation chambers. Improving the representation of organic aerosols in CTM is therefore required to diagnose the origin of air pollution by fine particles, improve the reliability of pollution episode prediction and assess the impact of aerosols on the environment. The objectives of this thesis are :• to explore the influence of environmental conditions on SOA formation and properties,• to develop a new parameterization of SOA formation based on a deterministic representation of atmospheric chemistry,• to evaluate this parameterization in CTM by comparison with in-situ measurements. Deterministic models represent the non-linearity of SOA formation processes. The model GECKO-A (Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) is a numerical modelling tool that integrates the elementary data (kinetics and thermodynamics) from laboratory studies. In this thesis, oxidation scenarios representative of various environmental conditions were developed and GECKO-A was used to study the impact of environmental factors (temperature, NOx concentrations, solar radiations, etc.) on the formation and the properties of the SOA. On the basis of these simulations, a new parameterization for SOA formation was developed: VBS-GECKO. The evaluation of the VBS-GECKO in box model has shown a good reproduction of the organic aerosol (OA) concentrations with RMSE lesser than 20%.The VBS-GECKO was integrated into the CHIMERE CTM to simulate summer concentrations of OA over Europe. Simulated OA are significantly improved compared to the reference parameterization used in CHIMERE. The VBS-GECKO was also used to study (i) the sources and properties of SOA and (ii) different representations of emissions of semi-volatile and intermediate volatility organic compounds by road traffi

Formation de l’aérosol organique secondaire dans les modèles de qualité de l’air : développement d’une paramétrisation sur la base de simulations explicites

The gaseous oxidation of organic compounds emitted into the atmosphere leads to the formation of thousands of secondary organic compounds (SOC). A fraction of these SOC is low volatile, and can partition between the gaseous phase and the particulate phase, forming secondary organic aerosols (SOA). The SOA are a main component of the particles, representing between 20% and 80% of the total mass of fine aerosols. Therefore, SOA contribute to the impact of aerosols on the environment, in particular air quality and climate. The quantification of the SOA impacts is estimated using chemical-transport models (CTM). Comparisons with in situ measurements show that the spatial and temporal variations of SOA mass are not correctly simulated by CTM. In these models, the SOA formation is represented in a simplified way, using empirical parameterizations developed on the basis of observations performed in atmospheric simulation chambers. Improving the representation of organic aerosols in CTM is therefore required to diagnose the origin of air pollution by fine particles, improve the reliability of pollution episode prediction and assess the impact of aerosols on the environment. The objectives of this thesis are :• to explore the influence of environmental conditions on SOA formation and properties,• to develop a new parameterization of SOA formation based on a deterministic representation of atmospheric chemistry,• to evaluate this parameterization in CTM by comparison with in-situ measurements. Deterministic models represent the non-linearity of SOA formation processes. The model GECKO-A (Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) is a numerical modelling tool that integrates the elementary data (kinetics and thermodynamics) from laboratory studies. In this thesis, oxidation scenarios representative of various environmental conditions were developed and GECKO-A was used to study the impact of environmental factors (temperature, NOx concentrations, solar radiations, etc.) on the formation and the properties of the SOA. On the basis of these simulations, a new parameterization for SOA formation was developed: VBS-GECKO. The evaluation of the VBS-GECKO in box model has shown a good reproduction of the organic aerosol (OA) concentrations with RMSE lesser than 20%.The VBS-GECKO was integrated into the CHIMERE CTM to simulate summer concentrations of OA over Europe. Simulated OA are significantly improved compared to the reference parameterization used in CHIMERE. The VBS-GECKO was also used to study (i) the sources and properties of SOA and (ii) different representations of emissions of semi-volatile and intermediate volatility organic compounds by road trafficL’oxydation gazeuse des composés organiques émis dans l’atmosphère mène à la formation de milliers de composés organiques secondaires (COS). Une fraction de ces COS est peu volatile, et peut se partager entre la phase gazeuse et la phase particulaire formant ainsi des aérosols organiques secondaires (AOS). Les AOS contribuent majoritairement à la composition des particules, participant entre 20 et 80 % à la masse totale des aérosols fins et influencent ainsi leurs impacts sur l’environnement, en particulier sur la qualité de l’air et le climat. Ces impacts sont quantifiés à l’aide de modèles de chimie-transport (CTM). Les comparaisons avec les mesures in situ montrent que les variations spatiales et temporelles de la masse d’AOS ne sont pas correctement simulées par les CTM. Dans ces modèles, la formation d’AOS est représentée de façon simplifiée à l'aide de paramétrisations empiriques développées sur la base d'observations en chambres de simulation atmosphérique. Il est donc primordial de repenser et d’améliorer la représentation des aérosols organiques dans les CTM pour diagnostiquer l’origine de la pollution atmosphérique par les particules fines, améliorer la fiabilité de la prévision des épisodes de pollution et évaluer l'impact des aérosols sur l'environnement. Les objectifs de cette thèse sont de :• explorer l’influence des conditions environnementales sur la formation et les propriétés des AOS,• développer une nouvelle paramétrisation de formation de l’AOS sur la base d’une représentation déterministe de la chimie atmosphérique,• évaluer cette paramétrisation en CTM par comparaison avec des mesures in-situ.Les modèles déterministes permettent de représenter la non-linéarité des processus de formation de l'AOS. Le modèle déterministe GECKO-A (Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) est un outil de modélisation numérique qui intègre les données élémentaires (cinétiques et thermodynamiques) issues des études en laboratoire. Dans le cadre de cette thèse, des scénarios d’oxydation en conditions environnementales ont été développés et GECKO-A a été utilisé pour étudier l’impact des facteurs environnementaux (température, teneur en NOx, ensoleillement...) sur la formation et les propriétés des AOS. Sur la base de ces simulations, une nouvelle paramétrisation pour la formation d’AOS a été développée: VBS-GECKO. L’évaluation de la VBS-GECKO en modèle de boîte a montré une bonne reproduction des concentrations en aérosols organiques (AO) avec une RMSE inférieure à 20%. La VBS-GECKO a été intégrée au CTM CHIMERE pour simuler les concentrations estivales d’AO au dessus de l’Europe. Son utilisation conduit à une sensible amélioration de la masse d’AO simulée par rapport à la paramétrisation de référence utilisée dans CHIMERE. La VBS-GECKO a également été utilisé pour étudier (i) les sources et propriétés des AOS et (ii) différentes représentation des émissions de composés organiques semi-volatils et de volatilité intermédiaire par le trafic routie

Development of a detailed gaseous oxidation scheme of naphthalene for secondary organic aerosol (SOA) formation and speciation

International audienceNaphthalene is the most abundant polycyclic aromatic hydrocarbon (PAH) in vehicle emissions and polluted urban areas. Its atmospheric oxidation products are oxygenated compounds that are potentially harmful for health and/or contribute to secondary organic aerosol (SOA) formation. Despite its impact on air quality, its complex structure and a lack of data mean that no detailed scheme of naphthalene gaseous oxidation for SOA formation and speciation has been established yet. This study presents the construction of the first near-explicit chemical scheme for naphthalene oxidation by OH, including kinetic and mechanistic data. The scheme redundantly represents all the classical steps of atmospheric organic chemistry (i.e., oxidation of stable species, peroxy radical formation and reaction, and alkoxy radical evolution), thus integrating fragmentation or functionalization pathways and the influence of NOx on secondary compound formation. Missing kinetic and mechanistic data were estimated using structure–activity relationships (SARs) or by analogy with existing experimental or theoretical data. The proposed chemical scheme involves 383 species (231 stable species, including 93 % of the major molar masses observed in previous experimental studies) and 484 reactions with products. A first simulation reproducing experimental oxidation in an oxidation flow reactor under high-NOx conditions shows a simulated SOA mass on the same order of magnitude as has been observed experimentally, with an error of −9 %

Modeling organic aerosol over Europe in summer conditions with the VBS-GECKO parameterization : sensitivity to secondary organic compound properties and IVOC (intermediate-volatility organic compound) emissions

The VBS-GECKO (volatility basis set - Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) parameterization for secondary organic aerosol (SOA) formation was integrated into the chemistry-transport model CHIMERE. Concentrations of organic aerosol (OA) and SOA were simulated over Europe for the July-August 2013 period. Simulated concentrations with VBS-GECKO were compared to results obtained with the former H2O parameterization implemented in CHIMERE and to observations from EMEP, ACTRIS and other observations available in the EBAS database. The model configuration using the VBS-GECKO parameterization slightly improves the performances compared to the model configuration using the former H2O parameterization. The VBS-GECKO model configuration performs well for stations showing a large SOA concentration from biogenic sources, especially in northern Europe, but underestimates OA concentrations over stations close to urban areas. Simulated OA was found to be mainly secondary (similar to 85 %) and from terpene oxidation. Simulations show negligible contribution of the oxidation of monoaromatic compounds to SOA production. Tests performed to examine the sensitivity of simulated OA concentrations to hydro-solubility, volatility, aging rates and NOx regime have shown that the VBS-GECKO parameterization provides consistent results, with a weak sensitivity to changes in the parameters provided by the gas-phase mechanism included in CHIMERE (e.g., HOx or NOx concentrations). Different scenarios considering intermediate-volatility organic compound (IVOC) emissions were tested to examine the contribution of IVOC oxidation to SOA production. At the continental scale, these simulations show a weak sensitivity of OA concentrations to IVOC emission variations. At the local scale, accounting for IVOC emissions was found to lead to a substantial increase in OA concentrations in the plume from urban areas. This additional OA source remains too small to explain the gap between simulated and measured values at stations where anthropogenic sources are dominant

Improvement in Modeling of OH and HO2 Radical Concentrations during Toluene and Xylene Oxidation with RACM2 Using MCM/GECKO-A

International audienceDue to their major role in atmospheric chemistry and secondary pollutant formation such as ozone or secondary organic aerosols, an accurate representation of OH and HO2 (HOX) radicals in air quality models is essential. Air quality models use simplified mechanisms to represent atmospheric chemistry and interactions between HOX and organic compounds. In this work, HOX concentrations during the oxidation of toluene and xylene within the Regional Atmospheric Chemistry Mechanism (RACM2) are improved using a deterministic-near-explicit mechanism based on the Master Chemical Mechanism (MCM) and the generator of explicit chemistry and kinetics of organics in the atmosphere (GECKO-A). Flow tube toluene oxidation experiments are first simulated with RACM2 and MCM/GECKO-A. RACM2, which is a simplified mechanism, is then modified to better reproduce the HOX concentration evolution simulated by MCM/GECKO-A. In total, 12 reactions of the oxidation mechanism of toluene and xylene are updated, making OH simulated by RACM2 up to 70% more comparable to the comprehensive MCM/GECKO-A model for chamber oxidation simulations

Modelling molecular composition of SOA from toluene photo-oxidation at urban and street scales

International audienceNear-explicit chemical mechanisms representing toluene SOA formation are reduced using the GENOA algorithm and used in 3D simulations of air quality over Greater Paris and in the streets of a district near Paris. The SOA concentrations formed by the toluene photo-oxidation are found to mostly originate from molecular rearrangement with ring opening of a bicyclic peroxy radical (BPR) with an O–O bridge (45%), followed by OH-addition on the aromatic ring (22%), Highly Oxygenated organic Molecules (HOM) formation without ring opening (13%), condensation of methylnitrocatechol (8%), irreversible formation of SOA from methylglyoxal (6%), and ring-opening pathway (3%). The concentrations simulated using the most comprehensive reduced chemical scheme (rdc. Mech. 3) are also compared to those simulated with a SOA scheme based on chamber measurements, and one reduced from the Master Chemical Mechanism. Using rdc. Mech 3 leads to between 50% and 75% more toluene SOA concentrations than the other schemes, mostly because of molecular rearrangement. The SOA compounds from rdc. Mech. 3 are more oxidized and less volatile, with molecules of different functional groups. Concentrations of methylbenzoquinones, which may be of particular health interest, represent about 0.5% of the toluene SOA concentrations. Those are slightly higher in streets than in the urban background (by 2%)

Origins and characterization of CO and O3 in the African upper troposphere

Between December 2005 and 2013, the In-service Aircraft for a Global Observing System (IAGOS) program produced almost daily in situ measurements of CO and O3 between Europe and southern Africa. IAGOS data combined with measurements from the Infrared Atmospheric Sounding Interferometer (IASI) instrument aboard the Metop-A satellite (2008–2013) are used to characterize meridional distributions and seasonality of CO and O3 in the African upper troposphere (UT). The FLEXPART particle dispersion model and the SOFT-IO model which combines the FLEXPART model with CO emission inventories are used to explore the sources and origins of the observed transects of CO and O3. We focus our analysis on two main seasons: December to March (DJFM) and June to October (JJASO). These seasons have been defined according to the position of Intertropical Convergence Zone (ITCZ), determined using in situ measurements from IAGOS. During both seasons, the UT CO meridional transects are characterized by maximum mixing ratios located 10∘ from the position of the ITCZ above the dry regions inside the hemisphere of the strongest Hadley cell (132 to 165 ppb at 0–5∘ N in DJFM and 128 to 149 ppb at 3–7∘ S in JJASO) and decreasing values southward and northward. The O3 meridional transects are characterized by mixing ratio minima of ∼42–54 ppb at the ITCZ (10–16∘ S in DJFM and 5–8∘ N in JJASO) framed by local maxima (∼53–71 ppb) coincident with the wind shear zones north and south of the ITCZ. O3 gradients are strongest in the hemisphere of the strongest Hadley cell. IASI UT O3 distributions in DJFM have revealed that the maxima are a part of a crescent-shaped O3 plume above the Atlantic Ocean around the Gulf of Guinea. CO emitted at the surface is transported towards the ITCZ by the trade winds and then convectively uplifted. Once in the upper troposphere, CO-enriched air masses are transported away from the ITCZ by the upper branches of the Hadley cells and accumulate within the zonal wind shear zones where the maximum CO mixing ratios are found. Anthropogenic and fires both contribute, by the same order of magnitude, to the CO budget of the African upper troposphere. Local fires have the highest contribution and drive the location of the observed UT CO maxima. Anthropogenic CO contribution is mostly from Africa during the entire year, with a low seasonal variability. There is also a large contribution from Asia in JJASO related to the fast convective uplift of polluted air masses in the Asian monsoon region which are further westward transported by the tropical easterly jet (TEJ) and the Asian monsoon anticyclone (AMA). O3 minima correspond to air masses that were recently uplifted from the surface where mixing ratios are low at the ITCZ. The O3 maxima correspond to old high-altitude air masses uplifted from either local or long-distance area of high O3 precursor emissions (Africa and South America during all the year, South Asia mainly in JJASO) and must be created during transport by photochemistry.This research has been supported by the European Union's Horizon 2020 research and innovation program under Marie Skłodowska-Curie grant agreement H2020-MSCA-COFUND-2016-754433.Peer Reviewed"Article signat per 17 autors/es: Victor Lannuque, Bastien Sauvage, Brice Barret, Hannah Clark, Gilles Athier, Damien Boulanger, Jean-Pierre Cammas, Jean-Marc Cousin, Alain Fontaine, Eric Le Flochmoën, Philippe Nédélec, Hervé Petetin, Isabelle Pfaffenzeller, Susanne Rohs, Herman G. J. Smit, Pawel Wolff, and Valérie Thouret"Postprint (published version

Measurements and Modelling of OH and Peroxy Radicals in an Indoor Environment Under Different Light Conditions and VOC Levels

International audienceIndoor measurements of OH and sum of peroxy radicals XO2=HO2+RO2 were conducted in a room using window glasses of different transparencies and applying different coatings to the walls. Average OH and XO2 concentrations were found to vary in the range (0.6-4) × 105 molecule cm-3 and (1-7) × 107 molecule cm-3 respectively with anti-UV windows, and (6-10) × 105 molecule cm-3 and (4-16) × 107 molecule cm-3 respectively with borosilicate glasses. The OH and XO2 concentrations were compared with simulation results obtained using the H2I model, which accounts for the mixing between the sunlit and shaded volumes of the room. Taking into account the measurement uncertainty, the simulated OH concentrations agree with the observations on average while the simulated XO2 concentrations tend to be overestimated. Based on the model results, ozonolysis of unsaturated VOCs and photolysis of HONO and of organic compounds are found to represent the main primary sources of OH and XO2 radicals, the latter being more important in the sunlit volume. Despite the lower rate of the radical initiation in the shaded volume, the difference of radical concentrations in the shaded and sunlit volumes is mitigated by an interplay between the mixing time and the lifetime of XO2 radicals, allowing efficient transport of XO2 radicals into the shaded volume and acting there as a source of OH via radical propagation processes

Exploration of the influence of environmental conditions on secondary organic aerosol formation and organic species properties using explicit simulations : development of the VBS-GECKO parameterization

Atmospheric chambers have been widely used to study secondary organic aerosol (SOA) properties and formation from various precursors under different controlled environmental conditions and to develop parameterization to represent SOA formation in chemical transport models (CTMs). Chamber experiments are however limited in number, performed under conditions that differ from the atmosphere and can be subject to potential artefacts from chamber walls. Here, the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) modelling tool has been used in a box model under various environmental conditions to (i) explore the sensitivity of SOA formation and properties to changes on physical and chemical conditions and (ii) develop a volatility basis set (VBS)type parameterization. The set of parent hydrocarbons includes n-alkanes and 1-alkenes with 10, 14, 18, 22 and 26 carbon atoms, alpha-pinene, beta-pinene and limonene, benzene, toluene, o-xylene, m-xylene and p-xylene. Simulated SOA yields and their dependences on the precursor structure, organic aerosol load, temperature and NO, levels are consistent with the literature. GECKO-A was used to explore the distribution of molar mass, vaporization enthalpy, OH reaction rate and Henry's law coefficient of the millions of secondary organic compounds formed during the oxidation of the different precursors and under various conditions. From these explicit simulations, a VBS-GECKO parameterization designed to be implemented in 3-D air quality models has been tuned to represent SOA formation from the 18 precursors using GECKO-A as a reference. In evaluating the ability of VBS-GECKO to capture the temporal evolution of SOA mass, the mean relative error is less than 20 % compared to GECKO-A. The optimization procedure has been automated to facilitate the update of the VBS-GECKO on the basis of the future GECKO-A versions, its extension to other precursors and/or its modification to carry additional information

Representation of SOA formation in air quality models : a new parameterization developed on explicit simulations

Gaseous oxidation of organic compounds emitted into the atmosphere leads to the formation of thousands of oxygenated and nitrogenous organic compounds called secondary organic compounds (SOCs). A fraction of these SOCs have a volatility low enough to partition between the gas and the particulate phases, leading to the formation of secondary organic aerosols (SOAs). These SOAs represent a large fraction of fine particulate matter and contribute therefore to the impact of aerosols on air quality and climate. In chemistry transport models (CTMs), the formation of SOA is represented with empirical parameterizations. However, comparisons with field observations show that models are not able to reproduce correctly the spatial and temporal variations of SOA mass concentrations (e.g. Solazzo et al., 2012). Current SOA parameterizations are developed on the basis of smog chamber results. A direct assimilation of these results in CTM is however questionable as smog chamber experiments are usually performed during only a few hours, under conditions that differ from the atmosphere (level of oxidants and precursors, light spectrum and intensity, humidity, etc.) and with a potential artifact from wall surfaces. The purpose of this study is to develop a SOA parameterization on the basis of deterministic simulations. A deterministic representation of processes describes the influence on SOA formation of the various environmental conditions encountered in the atmosphere. This representation is however limited by our knowledge of processes implemented in the models. The GECKO-A model (Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere) (Aumont et al., 2005, Camredon et al., 2007) is used to represent SOA formation explicitly. GECKO-A is a modeling tool allowing the automatic generation of explicit chemical schemes from elementary data taken from laboratory studies and structure/property relationships to estimate unknown data. GECKO-A is used here to describe the explicit formation and properties of the SOCs. The gas/particle partitioning of each SOC is described by an absorption process following Raoult’s law and considering a homogeneous, ideal and inert condensed phase. The GECKO-A model has been evaluated for the purpose of SOA formation by comparison with chamber experiments (e.g. Valorso et al., 2011, La et al., 2016) and in situ measurements (e.g. Lee-Taylor et al., 2011). Different simulations were performed under various environmental conditions (NOX, organic aerosol seeds, and temperature) using GECKO-A in a box-model. The simulations were used to (i) explore the distributions of the physico-chemical properties (volatility, enthalpy of vaporization, molar mass, etc.) of species produced during organic compound oxidation; and (ii) to build and optimize a parameterization for SOA formation. The gas/particle partitioning of a given SOC depends mainly on its volatility. The SOC distribution was therefore parameterized according to volatility bins, as previously done in the volatility basis set parameterization (Donahue et al., 2006). The gas-phase oxidation of SOC has a large impact on the evolution of each volatility bin. The oxidation of the gaseous fraction of each bin was thus included in the parameterization. Seven bins are considered in the parameterization (called VBS-GECKO). VBS-GECKO includes SOA formation from various precursors (alkanes, alkenes, terpenes) and the impact of organic aerosol seeds, temperature and NOX levels. The relative errors between the VBS-GECKO parameterization and explicit GECKO-A simulations do not exceed 15% on the simulated SOA mass