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Benzene, emitted from automobile exhaust and biomass burning, is ubiquitous in ambient air. Benzene is a precursor hydrocarbon (HC) that forms secondary organic aerosol (SOA), but its SOA formation mechanism is not well studied. To accurately predict the formation of benzene SOA, it is important to understand the gas mechanisms of phenol, which is one of the major products formed from the atmospheric oxidation of benzene. Laboratory data presented herein highlight the impact of the aqueous phase on SOA generated through benzene and phenol oxidation. The roles of the aqueous phase consist of (1) suppression of the aging of hydrocarbon and (2) conventional acid-catalyzed reactions in the inorganic phase. To explain this unusual effect, it is hypothesized that a persistent phenoxy radical (PPR) effectively forms via a heterogeneous reaction of phenol and phenol-related products in the presence of wet inorganic aerosol. These PPR species are capable of catalytically consuming ozone during an NOx cycle and negatively influencing SOA growth. In this study, explicit gas mechanisms were derived to produce the oxygenated products from the atmospheric oxidation of phenol or benzene. Gas mechanisms include the existing Master Chemical Mechanism (MCM v3.3.1), the reaction path for peroxy radical adducts originating from the addition of an OH radical to phenols forming low-volatility products (e.g., multi-hydroxy aromatics), and the mechanisms to form heterogeneous production of PPR. The simulated gas products were classified into volatility- and reactivity-based lumped species and incorporated into the Unified Partitioning Aerosol Reaction (UNIPAR) model that predicts SOA formation via multiphase reactions of phenol or benzene. The predictability of the UNIPAR model was examined using chamber data, which were generated for the photooxidation of phenol or benzene under controlled experimental conditions (NOx levels, humidity, and inorganic seed types). The SOA formation from both phenol and benzene still increased in the presence of wet inorganic seed because of the oligomerization of reactive organic species in the aqueous phase. However, model simulations show a significant suppression of ozone, the oxidation of phenol or benzene, and SOA growth compared with those without PPR mechanisms. The production of PPR is accelerated in the presence of acidic aerosol and this weakens SOA growth. In benzene oxidation, up to 53 % of the oxidation pathway is connected to phenol formation in the reported gas mechanism. Thus, the contribution of PPR to gas mechanisms is less than that of phenol. Overall, SOA growth in phenol or benzene is negatively related to NOx levels in the high-NOx region (HC ppbC / NOx ppb < 5). However, the simulation indicates that the significance of PPR rises with decreasing NOx levels. Hence, the influence of NOx levels on SOA formation from phenol or benzene is complex under varying temperature and seed type conditions. Adding the comprehensive reaction of phenolic compounds will improve the prediction of SOA formation from aromatic HCs due to the missing mechanisms in the current air quality model.

Branched alkanes represent a significant proportion of hydrocarbons emitted in urban environments. To accurately predict the secondary organic aerosol (SOA) budgets in urban environments, these branched alkanes should be considered as SOA precursors. However, the potential to form SOA from diverse branched alkanes under varying environmental conditions is currently not well understood. In this study, the Unified Partitioning Aerosol Phase Reaction (UNIPAR) model is extended to predict SOA formation via the multiphase reactions of various branched alkanes. Simulations with the UNIPAR model, which processes multiphase partitioning and aerosol-phase reactions to form SOA, require a product distribution predicted from an explicit gas kinetic mechanism, whose oxygenated products are applied to create a volatility- and reactivity-based αi species array. Due to a lack of practically applicable explicit gas mechanisms, the prediction of the product distributions of various branched alkanes was approached with an innovative method that considers carbon lengths and branching structures. The αi array of each branched alkane was primarily constructed using an existing αi array of the linear alkane with the nearest vapor pressure. Generally, the vapor pressures of branched alkanes and their oxidation products are lower than those of linear alkanes with the same carbon number. In addition, increasing the number of alkyl branches can also decrease the ability of alkanes to undergo autoxidation reactions that tend to form low-volatility products and significantly contribute to alkane SOA formation. To account for this, an autoxidation reduction factor, as a function of the degree and position of branching, was applied to the lumped groups that contain autoxidation products. The resulting product distributions were then applied to the UNIPAR model for predicting branched-alkane SOA formation. The simulated SOA mass was compared to SOA data generated under varying experimental conditions (i.e., NOx levels, seed conditions, and humidity) in an outdoor photochemical smog chamber. Branched-alkane SOA yields were significantly impacted by NOx levels but insignificantly impacted by seed conditions or humidity. The SOA formation from branched and linear alkanes in diesel fuel was simulated to understand the relative importance of branched and linear alkanes with a wide range of carbon numbers. Overall, branched alkanes accounted for a higher proportion of SOA mass than linear alkanes due to their higher contribution to diesel fuel.

The UNIfied Partitioning-Aerosol phase Reaction (UNIPAR) model was integrated into the Comprehensive Air quality Model with extensions (CAMx) to process secondary organic aerosol (SOA) formation by capturing multiphase reactions of hydrocarbons (HCs) in regional scales. SOA growth was simulated using a wide range of anthropogenic HCs, including 10 aromatics and linear alkanes with different carbon lengths. The atmospheric processes of biogenic HCs (isoprene, terpenes, and sesquiterpene) were simulated for major oxidation paths (ozone, OH radicals, and nitrate radicals) to predict day and night SOA formation. The UNIPAR model streamlined the multiphase partitioning of the lumping species originating from semi-explicitly predicted gas products and their heterogeneous chemistry to form non-volatile oligomeric species in both organic aerosol and inorganic aqueous phase. The CAMx–UNIPAR model predicted SOA formation at four ground urban sites (San Jose, Sacramento, Fresno, and Bakersfield) in California, United States, during wintertime 2018. Overall, the simulated mass concentrations of the total organic matter, consisting of primary organic aerosol and SOA, showed a good agreement with the observations. The simulated SOA mass in the urban areas of California was predominated by alkane and terpene oxidation products. During the daytime, low-volatility products originating from the autoxidation of long-chain alkanes considerably contributed to the SOA mass. In contrast, a significant amount of nighttime SOA was produced by the reaction of terpene with ozone or nitrate radicals. The spatial distributions of anthropogenic SOA associated with aromatic and alkane HCs were noticeably affected by the southward wind direction, owing to the relatively long lifetime of their atmospheric oxidation, whereas those of biogenic SOA were nearly insensitive to wind direction. During wintertime 2018, the impact of inorganic aerosol hygroscopicity on the total SOA budget was not evident because of the small contribution of aromatic and isoprene products, which are hydrophilic and reactive in the inorganic aqueous phase. However, an increased isoprene SOA mass was predicted during the wet periods, although its contribution to the total SOA was little.

Secondary organic aerosol (SOA) from diesel fuel is known to be significantly sourced from the atmospheric oxidation of aliphatic hydrocarbons. In this study, the formation of linear alkane SOA was predicted using the Unified Partitioning Aerosol Phase Reaction (UNIPAR) model that simulated multiphase reactions of hydrocarbons. In the model, the formation of oxygenated products from the photooxidation of linear alkanes was simulated using a nearly explicit gas kinetic mechanism. Autoxidation paths integrated with alkyl peroxy radicals were added to the Master Chemical Mechanism v3.3.1 to improve the prediction of low-volatility products in the gas phase and SOA mass. The resulting gas products were then lumped into volatility- and reactivity-based groups that are linked to mass-based stoichiometric coefficients. The SOA mass in the UNIPAR model is produced via three major pathways: partitioning of gaseous oxidized products onto both the organic and wet inorganic phases, oligomerization in the organic phase, and reactions in the wet inorganic phase (acid-catalyzed oligomerization and organosulfate formation). The model performance was demonstrated for SOA data that were produced through the photooxidation of a homologous series of linear alkanes ranging from C9–C15 under varying environments (NOx levels and inorganic seed conditions) in a large outdoor photochemical smog chamber. The product distributions of linear alkanes were mathematically predicted as a function of carbon number using an incremental volatility coefficient (IVC) to cover a wide range of alkane lengths. The prediction of alkane SOA using the incremental volatility-based product distributions, which were obtained with C9–C12 alkanes, was evaluated for C13 and C15 chamber data and further extrapolated to predict the SOA from longer-chain alkanes (≥ C15) that can be found in diesel. The model simulation of linear alkanes in diesel fuel suggests that SOA mass is mainly produced by alkanes C15 and higher. Alkane SOA is insignificantly impacted by the reactions of organic species in the wet inorganic phase due to the hydrophobicity of products but significantly influenced by gas–particle partitioning.

The daytime oxidation of biogenic hydrocarbons is attributed to both OH radicals and O3, while nighttime chemistry is dominated by the reaction with O3 and NO3 radicals. Here, daytime and nighttime patterns of secondary organic aerosol (SOA) originating from biogenic hydrocarbons were predicted under varying environmental conditions (temperature, humidity, sunlight intensity, NOx levels, and seed conditions) by using the UNIfied Partitioning Aerosol phase Reaction (UNIPAR) model, which comprises multiphase gas–particle partitioning and in-particle chemistry. The products originating from the atmospheric oxidation of three different hydrocarbons (isoprene, α-pinene, and β-caryophyllene) were predicted by using extended semi-explicit mechanisms for four major oxidants (OH, O3, NO3, and O(3P)) during day and night. The resulting oxygenated products were then classified into volatility–reactivity-based lumping species. The stoichiometric coefficients associated with lumping species were dynamically constructed under varying NOx levels, and they were applied to the UNIPAR SOA model. The predictability of the model was demonstrated by simulating chamber-generated SOA data under varying environments. For daytime SOA formation, both isoprene and α-pinene were dominated by the OH-radical-initiated oxidation showing a gradual increase in SOA yields with decreasing NOx levels. The nighttime isoprene SOA formation was processed mainly by the NO3-driven oxidation, yielding higher SOA mass than daytime at higher NOx level (isoprene / NOx < 5 ppb C ppb−1). At a given amount of ozone, the oxidation to produce the nighttime α-pinene SOA gradually transited from the NO3-initiated reaction to ozonolysis as NOx levels decreased. Nighttime α-pinene SOA yields were also significantly higher than daytime SOA yields, although the nighttime α-pinene SOA yields gradually decreased with decreasing NOx levels. β-Caryophyllene, which rapidly produced SOA with high yields, showed a relatively small variation in SOA yields from changes in environmental conditions (i.e., NOx levels, seed conditions, and sunlight intensity), and its SOA formation was mainly attributed to ozonolysis day and night. The daytime SOA formation was generally more sensitive to the aqueous reactions than the nighttime SOA because the daytime chemistry produced more highly oxidized multifunctional products. The simulation of α-pinene SOA in the presence of gasoline fuel, which can compete with α-pinene for the reaction with OH radicals in typical urban air, suggested more growth of α-pinene SOA by the enhanced ozonolysis path. We concluded that the oxidation of the biogenic hydrocarbon with O3 or NO3 radicals is a source of the production of a sizable amount of nocturnal SOA, despite the low emission at night.

The prediction of secondary organic aerosol (SOA) on regional scales is traditionally performed by using gas–particle partitioning models. In the presence of inorganic salted wet aerosols, aqueous reactions of semivolatile organic compounds can also significantly contribute to SOA formation. The UNIfied Partitioning-Aerosol phase Reaction (UNIPAR) model utilizes the explicit gas mechanism to better predict SOA formation from multiphase reactions of hydrocarbons. In this work, the UNIPAR model was incorporated with the Comprehensive Air Quality Model with Extensions (CAMx) to predict the ambient concentration of organic matter (OM) in urban atmospheres during the Korean-United States Air Quality (2016 KORUS-AQ) campaign. The SOA mass predicted with CAMx–UNIPAR changed with varying levels of humidity and emissions and in turn has the potential to improve the accuracy of OM simulations. CAMx–UNIPAR significantly improved the simulation of SOA formation under the wet condition, which often occurred during the KORUS-AQ campaign, through the consideration of aqueous reactions of reactive organic species and gas–aqueous partitioning. The contribution of aromatic SOA to total OM was significant during the low-level transport/haze period (24–31 May 2016) because aromatic oxygenated products are hydrophilic and reactive in aqueous aerosols. The OM mass predicted with CAMx–UNIPAR was compared with that predicted with CAMx integrated with the conventional two-product model (SOAP). Based on estimated statistical parameters to predict OM mass, the performance of CAMx–UNIPAR was noticeably better than that of the conventional CAMx model, although both SOA models underestimated OM compared to observed values, possibly due to missing precursor hydrocarbons such as sesquiterpenes, alkanes, and intermediate volatile organic compounds (VOCs). The CAMx–UNIPAR simulation suggested that in the urban areas of South Korea, terpene and anthropogenic emissions significantly contribute to SOA formation while isoprene SOA minimally impacts SOA formation.

Heterogeneous chemistry of oxidized carbons in aerosol phase is known to significantly contribute to secondary organic aerosol (SOA) burdens. The UNIfied Partitioning Aerosol phase Reaction (UNIPAR) model was developed to process the multiphase chemistry of various oxygenated organics into SOA mass predictions in the presence of salted aqueous phase. In this study, the UNIPAR model simulated the SOA formation from gasoline fuel, which is a major contributor to the observed concentration of SOA in urban areas. The oxygenated products, predicted by the explicit mechanism, were lumped according to their volatility and reactivity and linked to stoichiometric coefficients which were dynamically constructed by predetermined mathematical equations at different NOx levels and degrees of gas aging. To improve the model feasibility in regional scales, the UNIPAR model was coupled with the Carbon Bond 6 (CB6r3) mechanism. CB6r3 estimated the hydrocarbon consumption and the concentration of radicals (i.e., RO2 and HO2) to process atmospheric aging of gas products. The organic species concentrations, estimated by stoichiometric coefficient array and the consumption of hydrocarbons, were applied to form gasoline SOA via multiphase partitioning and aerosol-phase reactions. To improve the gasoline SOA potential in ambient air, model parameters were also corrected for gas–wall partitioning (GWP). The simulated gasoline SOA mass was evaluated against observed data obtained in the University of Florida Atmospheric PHotochemical Outdoor Reactor (UF-APHOR) chamber under varying sunlight, NOx levels, aerosol acidity, humidity, temperature, and concentrations of aqueous salts and gasoline vapor. Overall, gasoline SOA was dominantly produced via aerosol-phase reaction, regardless of the seed conditions owing to heterogeneous reactions of reactive multifunctional organic products. Both the measured and simulated gasoline SOA was sensitive to seed conditions showing a significant increase in SOA mass with increasing aerosol acidity and water content. A considerable difference in SOA mass appeared between two inorganic aerosol states (dry aerosol vs. wet aerosol) suggesting a large difference in SOA formation potential between arid (western United States) and humid regions (eastern United States). Additionally, aqueous reactions of organic products increased the sensitivity of gasoline SOA formation to NOx levels as well as temperature. The impact of the chamber wall on SOA formation was generally significant, and it appeared to be higher in the absence of wet salts. Based on the evaluation of UNIPAR against chamber data from 10 aromatic hydrocarbons and gasoline fuel, we conclude that the UNIPAR model with both heterogeneous reactions and the model parameters corrected for GWP can improve the ability to accurately estimate SOA mass in regional scales.

The formation of secondary organic aerosols (SOAs) from the photooxidation of three monoalkylbenzenes (toluene, ethylbenzene, and n-propylbenzene) in the presence of inorganic seeds (SO42-–NH4+–H2O system) under varying NOx levels has been simulated using the Unified Partitioning Aerosol Phase Reaction (UNIPAR) model. The evolution of the volatility–reactivity distribution (mass-based stoichiometric coefficient, αi) of oxygenated products, which were created by the near-explicit gas kinetic mechanism, was integrated with the model using the parameters linked to the concentrations of HO2 and RO2 radicals. This dynamic distribution was used to estimate the model parameters related to the thermodynamic constants of the products in multiple phases (e.g., the gas phase, organic phase, and inorganic phase) and the reaction rate constants in the aerosol phase. The SOA mass was predicted through the partitioning and aerosol chemistry processes of the oxygenated products in both the organic phase and aqueous solution containing electrolytes, with the assumption of organic–inorganic phase separation. The prediction of the time series SOA mass (12 h), against the aerosol data obtained from an outdoor photochemical smog chamber, was improved by the dynamic αi set compared to the prediction using the fixed αi set. Overall, the effect of an aqueous phase containing electrolytes on SOA yields was more important than that of the NOx level under our simulated conditions or the utilization of the age-driven αi set. Regardless of the NOx conditions, the SOA yields for the three aromatics were significantly higher in the presence of wet electrolytic seeds than those obtained with dry seeds or no seed. When increasing the NOx level, the fraction of organic matter (OM) produced by aqueous reactions to the total OM increased due to the increased formation of relatively volatile organic nitrates and peroxyacyl-nitrate-like products. The predicted partitioning mass fraction increased as the alkyl chain length increased but the organic mass produced via aerosol-phase reactions decreased due to the increased activity coefficient of the organic compounds containing longer alkyl chains. Overall, the lower mass-based SOA yield was seen in the longer alkyl-substituted benzene in both the presence and absence of inorganic-seeded aerosols. However, the difference of mole-based SOA yields of three monoalkylbenzenes becomes small because the highly reactive organic species (i.e., glyoxal) mainly originates from ring opening products without an alkyl side chain. UNIPAR predicted the conversion of hydrophilic, acidic sulfur species to non-electrolytic dialkyl organosulfate (diOS) in the aerosol. Thus, the model predicted the impact of diOS on both hygroscopicity and acidity, which subsequently influenced aerosol growth via aqueous reactions.

To improve the simulation of the heterogeneous oxidation of SO2 and NOx in the presence of authentic mineral dust particles under ambient environmental conditions, the explicit kinetic mechanisms were constructed in the Atmospheric Mineral Aerosol Reaction (AMAR) model. The formation of sulfate and nitrate was divided into three phases: the gas phase, the non-dust aqueous phase, and the dust phase. In particular, AMAR established the mechanistic role of dust chemical characteristics (e.g., photoactivation, hygroscopicity, and buffering capacity) in heterogeneous chemistry. The photoactivation kinetic process of different dust particles was built into the model by measuring the photodegradation rate constant of an impregnated surrogate (malachite green dye) on a dust filter sample (e.g., Arizona test dust – ATD – and Gobi Desert dust – GDD) using an online reflective UV–visible spectrometer. The photoactivation parameters were integrated with the heterogeneous chemistry to predict the formation of reactive oxygen species on dust surfaces. A mathematical equation for the hygroscopicity of dust particles was also included in the AMAR model to process the multiphase partitioning of trace gases and in-particle chemistry. The buffering capacity of dust, which is related to the neutralization of dust alkaline carbonates with inorganic acids, was included in the model to dynamically predict the hygroscopicity of aged dust. The AMAR model simulated the formation of sulfate and nitrate using experimental data obtained in the presence of authentic mineral dust under ambient sunlight using a large outdoor smog chamber (University of Florida Atmospheric Photochemical Outdoor Reactor, UF-APHOR). Overall, the influence of GDD on the heterogeneous chemistry was much greater than that of ATD. Based on the model analysis, GDD enhanced the sulfate formation mainly via its high photoactivation capability. In the case of NO2 oxidation, dust-phase nitrate formation is mainly regulated by the buffering capacity of dust. The measured buffering capacity of GDD was 2 times greater than that of ATD, and consequently, the maximum nitrate concentration with GDD was nearly 2 times higher than that with ATD. The model also highlights that in urban areas with high NOx concentrations, hygroscopic nitrate salts quickly form via titration of the carbonates in the dust particles, but in the presence of SO2, the nitrate salts are gradually depleted by the formation of sulfate.

The photocatalytic ability of airborne mineral dust particles is known to heterogeneously promote SO2 oxidation, but prediction of this phenomenon is not fully taken into account by current models. In this study, the Atmospheric Mineral Aerosol Reaction (AMAR) model was developed to capture the influence of air-suspended mineral dust particles on sulfate formation in various environments. In the model, SO2 oxidation proceeds in three phases including the gas phase, the inorganic-salted aqueous phase (non-dust phase), and the dust phase. Dust chemistry is described as the absorption–desorption kinetics of SO2 and NOx (partitioning between the gas phase and the multilayer coated dust). The reaction of absorbed SO2 on dust particles occurs via two major paths: autoxidation of SO2 in open air and photocatalytic mechanisms under UV light. The kinetic mechanism of autoxidation was first leveraged using controlled indoor chamber data in the presence of Arizona Test Dust (ATD) particles without UV light, and then extended to photochemistry. With UV light, SO2 photooxidation was promoted by surface oxidants (OH radicals) that are generated via the photocatalysis of semiconducting metal oxides (electron–hole theory) of ATD particles. This photocatalytic rate constant was derived from the integration of the combinational product of the dust absorbance spectrum and wave-dependent actinic flux for the full range of wavelengths of the light source. The predicted concentrations of sulfate and nitrate using the AMAR model agreed well with outdoor chamber data that were produced under natural sunlight. For seven consecutive hours of photooxidation of SO2 in an outdoor chamber, dust chemistry at the low NOx level was attributed to 55 % of total sulfate (56 ppb SO2, 290 µg m−3 ATD, and NOx less than 5 ppb). At high NOx ( > 50 ppb of NOx with low hydrocarbons), sulfate formation was also greatly promoted by dust chemistry, but it was suppressed by the competition between NO2 and SO2, which both consume the dust-surface oxidants (OH radicals or ozone).

When hydrocarbons (HCs) are atmospherically oxidized, they form particulate oxidizers, including quinones, organic hydroperoxides, and peroxyacyl nitrates (PANs). These particulate oxidizers can modify cellular materials (e.g., proteins and enzymes) and adversely modulate cell functions. In this study, the contribution of particulate oxidizers in secondary organic aerosols (SOAs) to the oxidative potential was investigated. SOAs were generated from the photooxidation of toluene, 1,3,5-trimethylbenzene, isoprene, and α-pinene under varied NOx levels. Oxidative potential was determined from the typical mass-normalized consumption rate (reaction time t = 30 min) of dithiothreitol (DTTt), a surrogate for biological reducing agents. Under high-NOx conditions, the DTTt of toluene SOA was 2–5 times higher than that of the other types of SOA. Isoprene DTTt significantly decreased with increasing NOx (up to 69 % reduction by changing the HC ∕ NOx ratio from 30 to 5). The DTTt of 1,3,5-trimethylbenzene and α-pinene SOA was insensitive to NOx under the experimental conditions of this study. The significance of quinones to the oxidative potential of SOA was tested through the enhancement of DTT consumption in the presence of 2,4-dimethylimidazole, a co-catalyst for the redox cycling of quinones; however, no significant effect of 2,4-dimethylimidazole on modulation of DTT consumption was observed for all SOA, suggesting that a negligible amount of quinones was present in the SOA of this study. For toluene and isoprene, mass-normalized DTT consumption (DTTm) was determined over an extended period of reaction time (t = 2 h) to quantify their maximum capacity to consume DTT. The total quantities of PANs and organic hydroperoxides in toluene SOA and isoprene SOA were also measured using the Griess assay and the 4-nitrophenylboronic acid assay, respectively. Under the NOx conditions (HC ∕ NOx ratio: 5–36 ppbC ppb−1) applied in this study, the amount of organic hydroperoxides was substantial, while PANs were found to be insignificant for both SOAs. Isoprene DTTm was almost exclusively attributable to organic hydroperoxides, while toluene DTTm was partially attributable to organic hydroperoxides. The DTT assay results of the model compound study suggested that electron-deficient alkenes, which are abundant in toluene SOA, could also modulate DTTm.

The secondary organic aerosol (SOA) produced by the photooxidation of isoprene with and without inorganic seed is simulated using the Unified Partitioning Aerosol Phase Reaction (UNIPAR) model. Recent work has found the SOA formation of isoprene to be sensitive to both aerosol acidity ([H+], mol L−1) and aerosol liquid water content (LWC) with the presence of either leading to significant aerosol phase organic mass generation and large growth in SOA yields (YSOA). Classical partitioning models alone are insufficient to predict isoprene SOA formation due to the high volatility of photooxidation products and sensitivity of their mass yields to variations in inorganic aerosol composition. UNIPAR utilizes the chemical structures provided by a near-explicit chemical mechanism to estimate the thermodynamic properties of the gas phase products, which are lumped based on their calculated vapor pressure (eight groups) and aerosol phase reactivity (six groups). UNIPAR then determines the SOA formation of each lumping group from both partitioning and aerosol phase reactions (oligomerization, acid-catalyzed reactions and organosulfate formation) assuming a single homogeneously mixed organic–inorganic phase as a function of inorganic composition and VOC ∕ NOx (VOC – volatile organic compound). The model is validated using isoprene photooxidation experiments performed in the dual, outdoor University of Florida Atmospheric PHotochemical Outdoor Reactor (UF APHOR) chambers. UNIPAR is able to predict the experimental SOA formation of isoprene without seed, with H2SO4 seed gradually titrated by ammonia, and with the acidic seed generated by SO2 oxidation. Oligomeric mass is predicted to account for more than 65 % of the total organic mass formed in all cases and over 85 % in the presence of strongly acidic seed. The model is run to determine the sensitivity of YSOA to [H+], LWC and VOC ∕ NOx, and it is determined that the SOA formation of isoprene is most strongly related to [H+] but is dynamically related to all three parameters. For VOC ∕ NOx > 10, with increasing NOx both experimental and simulated YSOA increase and are found to be more sensitive to [H+] and LWC. For atmospherically relevant conditions, YSOA is found to be more than 150 % higher in partially titrated acidic seeds (NH4HSO4) than in effloresced inorganics or in isoprene only.

Data collected from 690 purebred Duroc pigs from 2009 to 2012 were used to estimate the heritability, and genetic and phenotypic correlations between production and meat quality traits. Variance components were obtained through the restricted maximum likelihood procedure using Wombat and SAS version 9.0. Animals were raised under the same management in five different breeding farms. The average daily gain, loin muscle area (LMA), backfat thickness (BF), and lean percent (LP) were measured as production traits. Meat quality traits included pH, cooking loss, lightness (L*), redness (a*), yellowness (b*), marbling score (MS), moisture content (MC), water holding capacity (WHC), and shear force. The results showed that the heritability estimates for meat quality traits varied largely from 0.19 to 0.79. Production traits were moderate to highly heritable from 0.41 to 0.73. Genotypically, the BF was positively correlated (p

The Unified Partitioning-Aerosol phase Reaction (UNIPAR) model has been developed to predict the secondary organic aerosol (SOA) formation through multiphase reactions. The model was evaluated with aromatic SOA data produced from the photooxidation of toluene and 1,3,5-trimethylbenzene (135-TMB) under various concentrations of NOx and SO2 using an outdoor reactor (University of Florida Atmospheric PHotochemical Outdoor Reactor (UF-APHOR) chamber). When inorganic species (sulfate, ammonium and water) are present in aerosol, the prediction of both toluene SOA and 135-TMB SOA, in which the oxygen-to-carbon (O : C) ratio is lower than 0.62, are approached under the assumption of a complete organic/electrolyte-phase separation below a certain relative humidity. An explicit gas-kinetic model was employed to express gas-phase oxidation of aromatic hydrocarbons. Gas-phase products are grouped based on their volatility (6 levels) and reactivity (5 levels) and exploited to construct the stoichiometric coefficient (αi,j) matrix, the set of parameters used to describe the concentrations of organic compounds in multiphase. Weighting of the αi,j matrix as a function of NOx improved the evaluation of NOx effects on aromatic SOA. The total amount of organic matter (OMT) is predicted by two modules in the UNIPAR model: OMP by a partitioning process and OMAR by aerosol-phase reactions. The OMAR module predicts multiphase reactions of organic compounds, such as oligomerization, acid-catalyzed reactions, and organosulfate (OS) formation. The model reasonably simulates SOA formation under various aerosol acidities, NOx concentrations, humidities and temperatures. Furthermore, the OS fractions in the SOA predicted by the model were in good agreement with the experimentally measured OS fractions.

Wood-burning aerosol produced under smoldering conditions was photochemically aged with different relative humidity (RH) and NOx conditions using a 104 m3 dual outdoor chamber under natural sunlight. Light absorption of organic carbon (OC) was measured over the course of photooxidation using a UV–visible spectrometer connected to an integrating sphere. At high RH, the color decayed rapidly. NOx slightly prolonged the color of wood smoke, suggesting that NOx promotes the formation of chromophores via secondary processes. Overall, the mass absorption cross section (integrated between 280 and 600 nm) of OC increased by 11–54% (except high RH) in the morning and then gradually decreased by 19–68% in the afternoon. This dynamic change in light absorption of wood-burning OC can be explained by two mechanisms: chromophore formation and sunlight bleaching. To investigate the effect of chemical transformation on light absorption, wood smoke particles were characterized using various spectrometers. The intensity of fluorescence, which is mainly related to polycyclic aromatic hydrocarbons (PAHs), rapidly decreased with time, indicating the potential bleaching of PAHs. A decline of levoglucosan concentrations evinced the change of primary organic aerosol with time. The aerosol water content measured by Fourier transform infrared spectroscopy showed that wood-burning aerosol became less hygroscopic as photooxidation proceeded. A similar trend in light absorption changes has been observed in ambient smoke aerosol originating from the 2012 County Line wildfire in Florida. We conclude that the biomass-burning OC becomes less light absorbing after 8–9 h sunlight exposure compared to fresh wood-burning OC.

To understand the different environment and morphology for heavy rainfall during 9–10 July 2007, over the Korean Peninsula, mesoscale convective systems (MCSs) that accompanied the Changma front in two different regions were investigated. The sub-synoptic conditions were analysed using mesoscale analysis data (MANAL), reanalysis data, weather charts and Multi-functional Transport Satellite (MTSAT-IR) data. Dual-Doppler radar observations were used to analyse the wind fields within the precipitation systems. During both the case periods, the surface low-pressure field intensified and moved northeastward along the Changma front. A low-level warm front gradually formed with an east-west orientation, and the cold front near the low pressure was aligned from northeast to southwest. The northern convective systems (meso-α-scale) were embedded within an area of stratiform cloud north of the warm front. The development of low-level pressure resulted in horizontal and vertical wind shear due to cyclonic circulation. The wind direction was apparently different across the warm front. In addition, the southeasterly flow (below 4 km) played an important role in generating new convective cells behind the prevailing convective cell. Each isolated southern convective cell (meso-β-scale) moved along the line ahead of the cold front within the prefrontal warm sector. These convective cells developed when a strong southwesterly low-level jet (LLJ) intensified and moisture was deeply advected into the sloping frontal zone. A high equivalent potential temperature region transported warm moist air in a strong southwesterly flow, where the convectively unstable air led to updraft and downdraft with a strong reflectivity core.

To improve the model prediction for the formation of H2SO4 and methanesulfonic acid (MSA), aerosol-phase reactions of gaseous dimethyl sulfide (DMS) oxidation products [e.g., dimethyl sulfoxide (DMSO)] in aerosol have been included in the DMS kinetic model with the recently reported gas-phase reactions and their rate constants. To determine the rate constants of aerosol-phase reactions of both DMSO and its major gaseous products [e.g., dimethyl sulfone (DMSO2) and methanesulfinic acid (MSIA)], DMSO was photooxidized in the presence of NOx using a 2 m3 Teflon film chamber. The rate constants tested in the DMSO kinetic mechanisms were then incorporated into the DMS photooxidation mechanism. The model simulation using the newly constructed DMS oxidation mechanims was compared to chamber data obtained from the phototoxiation of DMS in the presence of NOx. Within 120-min simulation, the predicted concentrations of MSA increase by 200–400% and those of H2SO4, by 50–200% due to aerosol-phase chemistry. This was well substantiated with experimental data. To study the effect of coexisting volatile organic compounds, the photooxidation of DMS in the presence of isoprene and NOx has been simulated using the newly constructed DMS kinetic model integrated with the Master Chemical Mechanism (MCM) for isoprene oxidation, and compared to chamber data. With the high concentrations of DMS (250 ppb) and isoprene (560–2248 ppb), both the model simulation and experimental data showed an increase in the yields of MSA and H2SO4 as the isoprene concentration increased.

Secondary organic aerosol (SOA) accounts for a significant fraction of ambient tropospheric aerosol and a detailed knowledge of the formation, properties and transformation of SOA is therefore required to evaluate its impact on atmospheric processes, climate and human health. The chemical and physical processes associated with SOA formation are complex and varied, and, despite considerable progress in recent years, a quantitative and predictive understanding of SOA formation does not exist and therefore represents a major research challenge in atmospheric science. This review begins with an update on the current state of knowledge on the global SOA budget and is followed by an overview of the atmospheric degradation mechanisms for SOA precursors, gas-particle partitioning theory and the analytical techniques used to determine the chemical composition of SOA. A survey of recent laboratory, field and modeling studies is also presented. The following topical and emerging issues are highlighted and discussed in detail: molecular characterization of biogenic SOA constituents, condensed phase reactions and oligomerization, the interaction of atmospheric organic components with sulfuric acid, the chemical and photochemical processing of organics in the atmospheric aqueous phase, aerosol formation from real plant emissions, interaction of atmospheric organic components with water, thermodynamics and mixtures in atmospheric models. Finally, the major challenges ahead in laboratory, field and modeling studies of SOA are discussed and recommendations for future research directions are proposed.

Since artificial space objects are observable only in a short period of time and the characteristics of their motion is not exactly predictable, it is difficult to obtain both photometric and spectroscopic data by a set of observations. We have, therefore, designed a mount to load multi-optical instruments on the Kyung Hee University (KHU) satellite tracking and observation system for both photometric and spectroscopic observations of artificial space objects. In this paper, we have calculated the deformation of the remodeled mount using structural analyses for the loading of the multi-optical instruments. We have also deduced pointing errors of the mount occurring at tracking and observing artificial space objects. we have derived tracking reliably artificial space objects in our field of view and confirmed structural safety test of mount utilizing equivalent (von-mises) stress distribution.

Long term observations of full-disk Lyman-α irradiance have been made by the instruments on various satellites. In addition, several sounding rockets dating back to the 1950s and up through the present have measured the Lyman-α irradiance. Previous full disk Lyman-α images of the sun have been very interesting and useful scientifically, but have been only five-minute ``snapshots" obtained on sounding rocket flights. All of these observations to date have been snapshots, with no time resolution to observe changes in the chromospheric structure as a result of the evolving magnetic field, and its effect on the Lyman-α intensity. The Lyman-α Imaging Solar Telescope(LIST) can provide a unique opportunity for the study of the sun in the Lyman-α region with the high time and spatial resolution for the first time. Up to the 2nd year development, the preliminary design of the optics, mechanical structure and electronics system has been completed. Also the mechanical structure analysis, thermal analysis were performed and the material for the structure was chosen as a result of these analyses. And the test plan and the verification matrix were decided. The operation systems, technical and scientific operation, were studied and finally decided. Those are the technical operation, mechanical working modes for the observation and safety, the scientific operation and the process of the acquired data. The basic techniques acquired through the development of satellite based solar telescope are essential for the construction of space environment forecast system in the future. The techniques which we developed through this study, like mechanical, optical and data processing techniques, could be applied extensively not only to the process of the future production of flight models of this kind, but also to the related industries. Also, we can utilize the scientific achievements which are obtained throughout the project. And these can be utilized to build a high resolution photometric detectors for military and commercial purposes. It is also believed that we will be able to apply several acquired techniques for the development of the Korean satellite projects in the future.