title: On the use of an explicit chemical mechanism to dissect peroxy acetyl nitrate formation.
abstract: Peroxy acetyl nitrate (PAN) is a key component of photochemical smog and plays an important role in atmospheric chemistry. Though it has been known that PAN is produced via reactions of nitrogen oxides (NOx) with some volatile organic compounds (VOCs), it is difficult to quantify the contributions of individual precursor species. Here we use an explicit photochemical model--Master Chemical Mechanism (MCM) model--to dissect PAN formation and identify principal precursors, by analyzing measurements made in Beijing in summer 2008. PAN production was sensitive to both NOx and VOCs. Isoprene was the predominant VOC precursor at suburb with biogenic impact, whilst anthropogenic hydrocarbons dominated at downtown. PAN production was attributable to a relatively small class of compounds including NOx, xylenes, trimethylbenzenes, trans/cis-2-butenes, toluene, and propene. MCM can advance understanding of PAN photochemistry to a species level, and provide more relevant recommendations for mitigating photochemical pollution in large cities.
authors.affiliation: Department of Civil and Environmental Engineering, Hong Kong Polytechnic University, Hong Kong, China; Environment Research Institute, Shandong University, Ji'nan, Shandong, China. Electronic address: xuelikun@gmail.com.
authors.forename: Likun
authors.initials: L
authors.lastname: Xue
authors.affiliation: Department of Civil and Environmental Engineering, Hong Kong Polytechnic University, Hong Kong, China; Environment Research Institute, Shandong University, Ji'nan, Shandong, China; Chinese Research Academy of Environmental Sciences, Beijing, China. Electronic address: cetwang@polyu.edu.hk.
authors.forename: Tao
authors.initials: T
authors.lastname: Wang
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China.
authors.forename: Xinfeng
authors.initials: X
authors.lastname: Wang
authors.affiliation: Department of Chemistry, University of California at Irvine, Irvine, CA, USA.
authors.forename: Donald R
authors.initials: DR
authors.lastname: Blake
authors.affiliation: Chinese Research Academy of Environmental Sciences, Beijing, China.
authors.forename: Jian
authors.initials: J
authors.lastname: Gao
authors.affiliation: Institute for Climate and Global Change Research, Nanjing University, Nanjing, Jiangsu, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Nie
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China.
authors.forename: Rui
authors.initials: R
authors.lastname: Gao
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China; School of resources and environment, Ji'nan University, Shandong, China.
authors.forename: Xiaomei
authors.initials: X
authors.lastname: Gao
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Xu
authors.affiliation: Institute for Climate and Global Change Research, Nanjing University, Nanjing, Jiangsu, China.
authors.forename: Aijun
authors.initials: A
authors.lastname: Ding
authors.affiliation: Department of Civil and Environmental Engineering, Hong Kong Polytechnic University, Hong Kong, China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Huang
authors.affiliation: Department of Civil and Environmental Engineering, Hong Kong Polytechnic University, Hong Kong, China.
authors.forename: Shuncheng
authors.initials: S
authors.lastname: Lee
authors.affiliation: Chinese Research Academy of Environmental Sciences, Beijing, China.
authors.forename: Yizhen
authors.initials: Y
authors.lastname: Chen
authors.affiliation: Chinese Research Academy of Environmental Sciences, Beijing, China.
authors.forename: Shulan
authors.initials: S
authors.lastname: Wang
authors.affiliation: Chinese Research Academy of Environmental Sciences, Beijing, China.
authors.forename: Fahe
authors.initials: F
authors.lastname: Chai
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China.
authors.forename: Qingzhu
authors.initials: Q
authors.lastname: Zhang
authors.affiliation: Environment Research Institute, Shandong University, Ji'nan, Shandong, China; Chinese Research Academy of Environmental Sciences, Beijing, China.
authors.forename: Wenxing
authors.initials: W
authors.lastname: Wang
mesh_terms: D000393:Air Pollutants / Q000032:analysis* / Q000737:chemistry; D002947:Cities; D008956:Models, Chemical; D010463:Peracetic Acid / Q000031:analogs & derivatives* / Q000032:analysis / Q000737:chemistry; D010777:Photochemistry; D012621:Seasons; D055549:Volatile Organic Compounds / Q000032:analysis* / Q000737:chemistry
chemical_list: D000393:Air Pollutants; D055549:Volatile Organic Compounds; D010463:Peracetic Acid; C004185:peroxyacetyl nitrate
keywords: Aromatics; Isoprene; Master Chemical Mechanism; OVOCs; Peroxy acetyl nitrate