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DOI	10.5194/acp-23-1661-2023
	Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes
	Madhu, Azad; Jang, Myoseon; Deacon, David
发表日期	2023
ISSN	1680-7316
EISSN	1680-7324
起始页码	1661
结束页码	1675
卷号	23 期号:2 页码:15
英文摘要	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.
学科领域	Environmental Sciences; Meteorology & Atmospheric Sciences
语种	英语
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
WOS记录号	WOS:000923031100001
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/273165
作者单位	State University System of Florida; University of Florida
推荐引用方式 GB/T 7714	Madhu, Azad,Jang, Myoseon,Deacon, David. Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes[J],2023,23(2):15.
APA	Madhu, Azad,Jang, Myoseon,&Deacon, David.(2023).Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes.ATMOSPHERIC CHEMISTRY AND PHYSICS,23(2),15.
MLA	Madhu, Azad,et al."Modeling the influence of chain length on secondary organic aerosol (SOA) formation via multiphase reactions of alkanes".ATMOSPHERIC CHEMISTRY AND PHYSICS 23.2(2023):15.