Original scientific paper

Modeling of Ozone and Hydrogen Peroxide in Air

Gordana Pehnec ; Institute for Medical Research and Occupational Health, Ksaverska cesta 2, 10000 Zagreb, Croatia
Leo Klasinc ; Ruđer Bošković Institute, Bijenička 54, 10002 Zagreb, Croatia
Tomislav Cvitaš ; Department of Chemistry, University of Zagreb, Horvatovac 102a, 10001 Zagreb, Croatia
Vladimira Vađić ; Institute for Medical Research and Occupational Health, Ksaverska cesta 2, 10000 Zagreb, Croatia
Glenda Šorgo ; Ruđer Bošković Institute, Bijenička 54, 10002 Zagreb, Croatia

Abstract

Ozone (O3) 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 200419 and modeled
with the MM program20 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, O3, 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 O3, 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 O3. Temperature does not have any significant influence on
the formation of H2O2 and O3. The results also may explain the considerably higher ozone values measured
at the airport than in the city of Zagreb (ref. 22).

Keywords

free radicals; Master Mechanism model; nitrogen dioxide; peroxides; photochemical smog

Hrčak ID:

62648

URI

https://hrcak.srce.hr/62648

Publication date:

1.12.2010.

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