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DOI	10.1016/j.atmosenv.2020.117537
	Water vapour influence over the PAN stability: Homogeneous and heterogeneous processes between PAN-NO2-H2O
	Salas J.; Burgos Paci M.A.; Malanca F.E.
发表日期	2020
ISSN	1352-2310
卷号	232
英文摘要	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
英文关键词	Atmospheric chemistry; Peroxyacetyl nitrate; Thermal stability; Water reactions
语种	英语
scopus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
来源期刊	Atmospheric Environment
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/129473
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
推荐引用方式 GB/T 7714	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],2020,232.
APA	Salas J.,Burgos Paci M.A.,&Malanca F.E..(2020).Water vapour influence over the PAN stability: Homogeneous and heterogeneous processes between PAN-NO2-H2O.Atmospheric Environment,232.
MLA	Salas J.,et al."Water vapour influence over the PAN stability: Homogeneous and heterogeneous processes between PAN-NO2-H2O".Atmospheric Environment 232(2020).