globalchange  > 气候变化与战略
DOI: 10.1016/j.atmosenv.2020.117537
论文题名:
Water vapour influence over the PAN stability: Homogeneous and heterogeneous processes between PAN-NO2-H2O
作者: Salas J.; Burgos Paci M.A.; Malanca F.E.
刊名: Atmospheric Environment
ISSN: 1352-2310
出版年: 2020
卷: 232
语种: 英语
英文关键词: Calculations ; Carbon dioxide ; Gases ; Infrared spectroscopy ; Molecules ; Nitrates ; Nitrogen oxides ; Ab initio calculations ; Atmospheric process ; Kinetics simulations ; Peroxyacetyl nitrates ; Presence of water ; Temporal variation ; Theoretical methods ; Water molecule ; Water pollution ; acetic acid ; carbon dioxide ; nitrate ; nitrous acid ; peroxyacetylnitrate ; water ; carbon dioxide ; concentration (composition) ; detection method ; experimental study ; gas phase reaction ; peroxyacetyl nitrate ; temporal variation ; water vapor ; ab initio calculation ; adsorption ; Article ; atmosphere ; chemical interaction ; decomposition ; infrared spectroscopy ; kinetics ; priority journal ; water vapor
学科: Atmospheric chemistry ; Peroxyacetyl nitrate ; Thermal stability ; Water reactions
中文摘要: The study of the interaction between H2O in gas phase and pollutants has gained great importance to understand the role of water in the atmospheric processes. In this contribution the stability of peroxyacetyl nitrate with water molecules in the gas phase was investigated using experimental and theoretical methods. The temporal variation of PAN concentration was monitored by infrared spectroscopy in the presence of H2O, NO2/H2O and NO/H2O mixtures. The main products observed were: methyl nitrate, carbon dioxide and nitrous acid. There is no evidence of acetic acid formation as was proposed in previous studies. The presence of water increases the rate of PAN disappearance as consequence of NO formation from the NO2 + H2O reaction and heterogeneous processes. Ab-initio calculations were performed to study the interaction between PAN and water molecules. Also, kinetics simulations were used to corroborate the experimental results. © 2020 Elsevier Ltd
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/160755
Appears in Collections:气候变化与战略

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作者单位: INFIQC - CONICET - Instituto de Investigaciones en Fisicoquímica de Córdoba, Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria (X5000HUA), Córdoba, Argentina

Recommended Citation:
Salas J.,Burgos Paci M.A.,Malanca F.E.. Water vapour influence over the PAN stability: Homogeneous and heterogeneous processes between PAN-NO2-H2O[J]. Atmospheric Environment,2020-01-01,232
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