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Modeling of Ozone and Hydrogen Peroxide in Air

Pehnec, Gordana; Klasinc, Leo; Cvitaš, Tomislav; Vađić, Vladimira; Šorgo, Glenda (2010) Modeling of Ozone and Hydrogen Peroxide in Air. Croatica Chemica Acta, 83 (4). pp. 433-438. ISSN 0011-1643

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Ozone (O-3) and hydrogen peroxide (H2O2) volume fractions were calculated using the Master Mechanism (MM) model, author S. Madronich (NCAR, Boulder, CO, USA). MM is an atmospheric "box" model program for calculating the time evolution of atmospheric composition from initial amounts of atmospheric gases under chosen or varying conditions using reaction rate data and other physicochemical parameters. The photolysis coefficients were calculated using the Tropospheric Ultraviolet Visible (TUV) program of the same author. Data gathered during the field measurements in 2004(19) and modeled with the MM program(20) are used here to determine how gradual increase of one initial value of the following eight quantities: NO2, CO, VOC (i.e. some volatile organic compounds), BTX (i.e. benzene, toluene, xylenes), H2O2, O-3, temperature and relative humidity, will in the MM modeling affect the volume fractions of either ozone or hydrogen peroxide. According to the model, H2O2 volume fractions in air increase with higher relative humidity and higher initial values of CO, VOC, BTX, H2O2 and O-3, and only decrease by NO2. On the other hand, ozone volume fractions do rise with the increase of initial volume fractions of NO2, as well as of CO, VOC, BTX, H2O2 and O-3. Temperature does not have any significant influence on the formation of H2O2 and O-3. The results also may explain the considerably higher ozone values measured at the airport than in the city of Zagreb.

Item Type: Article
Uncontrolled Keywords: free radicals; Master Mechanism model; nitrogen dioxide; peroxides; photochemical smog; Croatia; Zagreb; troposphere; campaign
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Division of Physical Chemistry
Project titleProject leaderProject codeProject type
Karcinogena i potencijalno karcinogena onečišćenja u zraku[51313] Vladimira Vađić022-0222882-2338MZOS
Mjerenje i djelovanje atmosferskih oksidansa[21130] Leo Klasinc098-0982915-2947MZOS
Depositing User: Leo Klasinc
Date Deposited: 16 Oct 2013 12:31

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