Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.5194/acp-18-13411-2018 |
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 | |
Lannuque, Victor1,2,3,4; Camredon, Marie1,2; Couvidat, Florian3; Hodzic, Alma5,6; Valorso, Richard1,2; Madronich, Sasha5; Bessagnet, Bertrand3; Aumont, Bernard1,2 | |
2018-09-21 | |
发表期刊 | ATMOSPHERIC CHEMISTRY AND PHYSICS
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ISSN | 1680-7316 |
EISSN | 1680-7324 |
出版年 | 2018 |
卷号 | 18期号:18页码:13411-13428 |
文章类型 | Article |
语种 | 英语 |
国家 | France; USA |
英文摘要 | 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. |
领域 | 地球科学 |
收录类别 | SCI-E |
WOS记录号 | WOS:000445271300001 |
WOS关键词 | VOLATILITY BASIS-SET ; RADICAL-INITIATED REACTIONS ; PURE COMPONENT PROPERTIES ; SOA FORMATION ; MOLECULAR-STRUCTURE ; TROPOSPHERIC DEGRADATION ; PARTICULATE MATTER ; CHEMICAL MECHANISM ; VAPOR-PRESSURE ; OXIDATION |
WOS类目 | Environmental Sciences ; Meteorology & Atmospheric Sciences |
WOS研究方向 | Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/30600 |
专题 | 地球科学 |
作者单位 | 1.Univ Paris Est Creteil, IPSL, UMR CNRS 7583, LISA, F-94010 Creteil, France; 2.Univ Paris Diderot, F-94010 Creteil, France; 3.Natl Inst Ind Environm & Risks, INERIS, Parc Technol ALATA, F-60550 Verneuil En Halatte, France; 4.Agence Environm & Maitrise Energie, 20 Ave Gresille BP 90406, F-49004 Angers 01, France; 5.Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA; 6.Univ Paul Sabatier, CNRS, Observ Midi Pyrenees, Lab Aerol, Toulouse, France |
推荐引用方式 GB/T 7714 | Lannuque, Victor,Camredon, Marie,Couvidat, Florian,et al. 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[J]. ATMOSPHERIC CHEMISTRY AND PHYSICS,2018,18(18):13411-13428. |
APA | Lannuque, Victor.,Camredon, Marie.,Couvidat, Florian.,Hodzic, Alma.,Valorso, Richard.,...&Aumont, Bernard.(2018).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 CHEMISTRY AND PHYSICS,18(18),13411-13428. |
MLA | Lannuque, Victor,et al."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 CHEMISTRY AND PHYSICS 18.18(2018):13411-13428. |
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