Alkanes and aliphatic carbonyl compounds in wintertime PM2.5 in Beijing, China

Lyu, Ruihe; Shi, Zongbo; Alam, Mohammed S.; Wu, Xuefang; Liu, Di; Vu, Tuan V.; Stark, Christopher; Xu, Ruifeng; Fu, Pingqing; Feng, Yinchang; Harrison, Roy M.

doi:10.1016/j.atmosenv.2019.01.023

Cited by 35 publications

(20 citation statements)

References 61 publications

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“…The above results suggest that n-alkanol formation is more efficient on haze days, even though vehicular emissions appear to be another important source. Aliphatic carbonyl compounds, including n-alkanals, nalkan-2-ones and n-alkan-3-ones, were described in detail by Lyu et al (2019a). Briefly, the daily sum of aliphatic carbonyls ( AC) ranged from 8.87 to 164 ng m −3 , accounting for 0.02 %-0.46 % of OM.…”

Section: N-alkanoic Acids N-alkanols and Carbonyl Compoundsmentioning

confidence: 99%

“…The average AC was 75.8 ng m −3 during all haze days, approximately double the 39.5 ng m −3 of the non-haze period. Lyu et al (2019a) showed that the n-alkanals were mainly originated from vehicle exhaust or formed from OH oxidation of n-alkanes, while the n-alkanones were probably emitted mainly by coal combustion.…”

Section: N-alkanoic Acids N-alkanols and Carbonyl Compoundsmentioning

confidence: 99%

“…Figure 4 shows the molecular distributions of aliphatic hydrocarbons on non-haze and haze days. The details on the n-alkanes are given by Lyu et al (2019a). Briefly, the nalkanes (C 10 -C 36 ) ranged from 42.4 to 1241 ng m −3 , with an average 450 ± 316 ng m −3 , and the average n-alkanes was 577 ng m −3 during haze episodes, more than twice that of the non-haze period (264 ng m −3 ).…”

Section: Molecular Markersmentioning

confidence: 99%

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Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China

et al. 2019

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Abstract. Organic matter is a major component of PM2.5 in megacities. In order to understand the detailed characteristics of organic compounds (≥ C6) at a molecular level on non-haze and haze days, we determined more than 300 organic compounds in the PM2.5 from an urban area of Beijing collected in November–December 2016 using two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC × GC-ToF-MS). The identified organic compounds have been classified into groups, and quantitative methods were used to calculate their concentrations. Primary emission sources make significant contributions to the atmospheric organic compounds, and six groups (including n-alkanes, polycyclic aromatic hydrocarbons – PAHs, levoglucosan, branched alkanes, n-alkenes and alkyl-benzenes) account for 66 % of total identified organic compound mass. In addition, PAHs and oxygenated PAHs (O-PAHs) were abundant amongst the atmospheric organic compounds on both haze and non-haze days. The most abundant hydrocarbon groups were observed with a carbon atom range of C19–C28. In addition, the total concentration of unidentified compounds present in the chromatogram was estimated in the present study. The total identified compounds account for approximately 47 % of total organic compounds (≥ C6) in the chromatogram on both the non-haze and haze days. The total mass concentrations of organic compounds (≥ C6) in the chromatogram were 4.0 and 7.4 µg m−3 on the non-haze and haze days, respectively, accounting for 26.4 % and 18.5 % of organic matter, respectively, on those days estimated from the total organic carbon concentration. Ratios of individual compound concentrations between haze and non-haze days do not give a clear indication of the degree of oxidation, but the overall distribution of organic compounds in the chromatogram provides strong evidence that the organic aerosol is less GC volatile and hence more highly oxidized on haze days.

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Section: N-alkanoic Acids N-alkanols and Carbonyl Compoundsmentioning

confidence: 99%

Section: N-alkanoic Acids N-alkanols and Carbonyl Compoundsmentioning

confidence: 99%

Section: Molecular Markersmentioning

confidence: 99%

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Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China

et al. 2019

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“…Thus, wax-like long-chain alkanes presumably have a higher affinity to Teflon film than polar compounds. n-Alkanes are common species in both primary emissions (combustion of fossil fuels) and biogenic emissions (Simoneit, 1989;Bi et al, 2003;Lyu et al, 2019). These long-chain alkanes can enter the chamber during the ventilation process, and they can also constantly intrude the chamber via chamber dilution.…”

Section: Model Descriptionmentioning

confidence: 99%

Modeling of Gas-Wall Partitioning of Organic Compounds Using a Quantitative Structure–Activity Relationship

Han

Jang

Jiang

2019

Preprint

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Abstract. This study streamlines modeling of the gas&#8211;wall process (GWP) of semivolatile organic compounds (SVOC) by predicting gas&#8211;wall equilibrium partitioning constant (Kw,i) and accommodation coefficient (&#945;w,i) of SVOC(i) using a quantitative structure&#8211;activity relationship. PaDEL-Descriptor, software that calculates molecular descriptors, is employed to obtain physicochemical parameters (i.e., hydrogen bond acidity (Hd,i), hydrogen bond basicity (Ha,i), dipolarity/polarizability (Si), and polarizability (&#945;i)) of SVOC(i). For the prediction of Kw,i, activity coefficients (&#947;w,i) of SVOC(i) to the chamber wall are semiempirically predicted using chamber data in the form of a polynomial equation coupled with the physicochemical parameters. &#947;w,i of various SVOCs differ in functionalities and molecular sizes ranging from 100 to 104. We conclude that the estimation of &#947;w,i is essential to improve the prediction of Kw,i. To predict the impact of relative humidity (RH) on GWP, each coefficient in the polynomial equation for ln(Kw,i) was correlated to RH. Increasing RH enhanced GWP significantly for all polar SVOCs. For example, the predicted Kw,i of 1-heptanoic acid increased more than three times (from 0.58 to 1.96) by increasing RH from 0.4 to 0.75 due to the reduction in &#947;w,i. The characteristic time for GWP are estimated using Kw,i and &#945;w,i to evaluate the effect of GWP on secondary organic aerosol (SOA) mass. It might be significant in the absence of inorganic aerosol, but is insignificant in the presence of electrolytic salts, where aqueous reactions dominate SOA growth.

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“…CC BY 4.0 License. (Hamilton et al, 2004;Lyu et al, 2019b;Lyu et al, 2019c). GCxGC has recently shown hundreds of gaseous I/SVOCs released from biomass burning using adsorption-thermal desorption cartridges or solid phase extraction (SPE) disks (Hatch et al, 2015;Hatch et al, 2018).…”

Section: Introductionmentioning

confidence: 99%

Emissions of intermediate-volatility and semi-volatile organic compounds from domestic fuels used in Delhi, India

Stewart¹,

Nelson²,

Acton³

et al. 2020

Preprint

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Abstract. Biomass burning emits significant quantities of intermediate-volatility and semi-volatile volatile organic compounds (I/SVOCs) in a complex mixture, probably containing many thousands of chemical species. These components are significantly more toxic and have poorly understood chemistry compared to volatile organic compounds routinely analysed in ambient air, however quantification of I/SVOCs presents a difficult analytical challenge. The gases and particles emitted during the test combustion of a range of domestic solid fuels collected from across New Delhi were sampled and analysed. Organic aerosol was collected onto Teflon (PTFE) filters and residual low-volatility gases were adsorbed to the surface of solid-phase extraction (SPE) disks. A new method relying on accelerated solvent extraction (ASE) coupled to comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC×GC-ToF-MS) was developed. This highly sensitive and powerful analytical technique enabled over 3000 peaks from I/SVOC species with unique mass spectra to be detected. 15–100 % of gas-phase emissions and 7–100 % of particle-phase emissions were characterised. The method was analysed for suitability to make quantitative measurements of I/SVOCs using SPE disks. Analysis of SPE disks indicated phenolic and furanic compounds were important to gas-phase I/SVOC emissions and levoglucosan to the aerosol phase. Gas- and particle-phase emission factors for 21 polycyclic aromatic hydrocarbons (PAHs) were derived, including 16 compounds listed by the US EPA as priority pollutants. Gas-phase emissions were dominated by smaller PAHs. New emission factors were measured (mg kg−1) for PAHs from combustion of cow dung cake (615), municipal solid waste (1022), crop residue (747), sawdust (1236), fuel wood (247), charcoal (151) and liquified petroleum gas (56). The results of this study indicate that cow dung cake and municipal solid waste burning are likely to be significant PAH sources and further study is required to quantify their impact, alongside emissions from fuel wood burning.

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Alkanes and aliphatic carbonyl compounds in wintertime PM2.5 in Beijing, China

Cited by 35 publications

References 61 publications

Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China

Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China

Modeling of Gas-Wall Partitioning of Organic Compounds Using a Quantitative Structure–Activity Relationship

Emissions of intermediate-volatility and semi-volatile organic compounds from domestic fuels used in Delhi, India

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Alkanes and aliphatic carbonyl compounds in wintertime PM2.5 in Beijing, China

Cited by 35 publications

References 61 publications

Insight into the composition of organic compounds ( ≥ C6) in PM2.5 in wintertime in Beijing, China

Insight into the composition of organic compounds ( ≥ C6) in PM2.5 in wintertime in Beijing, China

Modeling of Gas-Wall Partitioning of Organic Compounds Using a Quantitative Structure–Activity Relationship

Emissions of intermediate-volatility and semi-volatile organic compounds from domestic fuels used in Delhi, India

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Product

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Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China

Insight into the composition of organic compounds ( ≥ C₆) in PM_2.5 in wintertime in Beijing, China