Theoretical study on the atmospheric oxidation reaction of 2-furanaldehyde initiated by NO3 radicals

被引：3
作者：
Huang, Zixiao [1 ]
Zhao, Nan [2 ]
Ma, Xiaohui [1 ]
Xu, Fei [1 ,3 ]
Zhang, Qingzhu [1 ,4 ]
Zhuang, Tao [4 ]
Wang, Wenxing [1 ]
机构：
[1] Shandong Univ, Environm Res Inst, Qingdao 266237, Peoples R China
[2] Shandong Univ, Key Lab Colloid & Interface Chem, Minist Educ, Sch Chem & Chem Engn, Jinan 250100, Shandong, Peoples R China
[3] Shandong Univ, Shenzhen Res Inst, Shenzhen 518057, Peoples R China
[4] Jinan Environm Res Acad, Jinan 250102, Shandong, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2019年 / 722卷
基金：
中国国家自然科学基金;
关键词：
Furanaldehydes; Atmospheric oxidation; Reaction mechanism; Rate constants; VOLATILE ORGANIC-COMPOUNDS; CHEMICAL-REACTIONS; FURAN; AEROSOL; MECHANISMS; FURANALDEHYDES; KINETICS; SERIES;
D O I：
10.1016/j.cplett.2019.03.009
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Furanaldehydes have raised environmental attention due to their large emission and high potential to generate secondary organic aerosol. In this study, the removal process of 2-furanaldehyde initiated by NO3 in gas phase was investigated by quantum chemical calculations. The overall rate constant for trans-2-furanaldehyde initiated by NO3 is 1.04x10(-12) cm(3) molecule(-1) s(-1) at 298 K and 1 atm. The atmospheric lifetime of 2-furanaldehyde with NO3 is estimated to be 0.53 h. This study indicates that the night-time reactions of 2-furanaldehyde with NO3 could contribute to the oxidative capacity of the atmosphere, secondary organic aerosol formation and new particle formation.
引用
收藏
页码：50 / 57
页数：8
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共 36 条
  • [1] PRODUCT AND KINETIC-STUDY OF THE OH-INITIATED GAS-PHASE OXIDATION OF FURAN, 2-METHYLFURAN AND FURANALDEHYDES AT APPROXIMATE-TO-300 K
    BIERBACH, A
    BARNES, I
    BECKER, KH
    [J]. ATMOSPHERIC ENVIRONMENT, 1995, 29 (19) : 2651 - 2660
  • [2] Kinetic study of 2-furanaldehyde, 3-furanaldehyde, and 5-methyl-2-furanaldehyde reactions initiated by Cl atoms
    Cabanas, B.
    Tapia, A.
    Villanueva, F.
    Salgado, S.
    Manedero, E.
    Martin, P.
    [J]. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 2008, 40 (10) : 670 - 678
  • [3] Study of reaction processes of furan and some furan derivatives initiated by Cl atoms
    Cabañas, B
    Villanueva, F
    Martín, P
    Baeza, MT
    Salgado, S
    Jiménez, E
    [J]. ATMOSPHERIC ENVIRONMENT, 2005, 39 (10) : 1935 - 1944
  • [4] Determination of volatile organic compounds (VOC) emitted from biomass burning of Mediterranean vegetation species by GC-MS
    Ciccioli, P
    Brancaleoni, E
    Frattoni, M
    Cecinato, A
    Pinciarelli, L
    [J]. ANALYTICAL LETTERS, 2001, 34 (06) : 937 - 955
  • [5] Atmospheric fate of a series of furanaldehydes by their NO3 reactions
    Colmenar, I.
    Cabanas, B.
    Martinez, E.
    Salgado, M. S.
    Martin, P.
    [J]. ATMOSPHERIC ENVIRONMENT, 2012, 54 : 177 - 184
  • [6] UV absorption cross sections between 290 and 380 nm of a series of furanaldehydes: Estimation of their photolysis lifetimes
    Colmenar, Inmaculada
    Gonzalez, Sergio
    Jimenez, Elena
    Martin, Pilar
    Salgado, Sagrario
    Cabanas, Beatriz
    Albaladejo, Jose
    [J]. ATMOSPHERIC ENVIRONMENT, 2015, 103 : 1 - 6
  • [7] A theoretical study of OH radical-initiated atmospheric oxidation of 1-chloronaphthalene
    Cui, Yang
    Ding, Zhezheng
    Sun, Yanhui
    Yi, Yayi
    Xu, Fei
    Zhang, Qingzhu
    Wang, Wenxing
    [J]. CHEMICAL PHYSICS LETTERS, 2018, 699 : 40 - 47
  • [8] ANALYSIS OF CONDENSATES FROM WOOD SMOKE - COMPONENTS DERIVED FROM POLYSACCHARIDES AND LIGNINS
    EDYE, LA
    RICHARDS, GN
    [J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY, 1991, 25 (06) : 1133 - 1137
  • [9] A large source of low-volatility secondary organic aerosol
    Ehn, Mikael
    Thornton, Joel A.
    Kleist, Einhard
    Sipila, Mikko
    Junninen, Heikki
    Pullinen, Iida
    Springer, Monika
    Rubach, Florian
    Tillmann, Ralf
    Lee, Ben
    Lopez-Hilfiker, Felipe
    Andres, Stefanie
    Acir, Ismail-Hakki
    Rissanen, Matti
    Jokinen, Tuija
    Schobesberger, Siegfried
    Kangasluoma, Juha
    Kontkanen, Jenni
    Nieminen, Tuomo
    Kurten, Theo
    Nielsen, Lasse B.
    Jorgensen, Solvejg
    Kjaergaard, Henrik G.
    Canagaratna, Manjula
    Dal Maso, Miikka
    Berndt, Torsten
    Petaja, Tuukka
    Wahner, Andreas
    Kerminen, Veli-Matti
    Kulmala, Markku
    Worsnop, Douglas R.
    Wildt, Juergen
    Mentel, Thomas F.
    [J]. NATURE, 2014, 506 (7489) : 476 - +
  • [10] THE PATH OF CHEMICAL-REACTIONS - THE IRC APPROACH
    FUKUI, K
    [J]. ACCOUNTS OF CHEMICAL RESEARCH, 1981, 14 (12) : 363 - 368
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