Ozone Chemistry


The three following reactions describe the basic ozone cycle in the lower atmosphere:
(1) NO 2 + Sunlight (wavelength < 430 nm) --> NO + O
NO 2 is a strong absorber of sunlight (blue and near UV). (see note 1 below)
(2) O + O 2 + M --> O 3 + M
This reaction is a three-body process. The M molecule is necessary to carry off energy released in forming the new bond.
(3) NO + O 3 --> NO 2 + O 2

Call k1 the rate constant for reaction (1) as written. Similarly, k2 and k3 are the rate constants for reactions (2) and (3). These three reactions form a complete cycle; for NO 2 the cycle takes only a few minutes. This creates a dynamic equilibrium, with the steady-state concentration of O 3 given by:
[O 3 ] = (k1/k2) [NO 2 ]/[NO] = 21 ppb [NO 2 ]/[NO]

As long as the [NO 2 ]/[NO] ratio is small, the ozone levels will remain low.
However, these three reactions cannot completely explain the buildup of ozone. If only these reactions were involved, a low steady-state O 3 level would build up in a few minutes, and then no further changes would occur. During this build up, the NO 2 concentration would decrease. However, the data indicate that the ozone buildup occurs more slowly over several hours accompanied by an increase in the NO 2 concentration. The dominant factor is the ratio of [NO 2 ]/[NO]. As discussed below, other reactions can increase this ratio and thus the levels of O 3 .

One set of reactions which can oxidize NO without decomposing O 3 :
OH + CO --> H + CO 2
H + O 2 + M --> HO 2 + M
HO 2 + NO --> OH + NO 2
Another set involves the methyl radical:
CH 3 + O 2 + M --> CH 3 O 2 + M
CH 3 O 2 + NO --> CH 3 O + NO 2
CH 3 O + O2-- > CH 2 O + HO 2
The above cycle can occur with many organic free radicals. Simply replace CH 3 with R.

The processes above oxidize NO to NO 2 . Reactions (1) and (2) continue to produce O 3 , in the presence of these reactions, but these other reactions convert NO to NO 2 before the NO can react to destroy the O 3 . The free radicals (CH 3 , OH, and R) are generated from hydrocarbons by photochemical reactions that require sunlight. Most free radicals have odd numbers of electrons. Most stable molecules have even numbers of electrons. When a radical reacts with a stable molecule, usually another radical is generated. This process can be halted by one of three reactions:
Radical-radical e.g. HO2 + CH 3 O 2 --> CH3O2H + O 2
Radical-NOx e.g.CH 3 OO 2 + NO 2 --> CH 3 OOO 2 NO 2 (PAN)
Radical-surface e.g. HO 2 + surface --> absorbed radical
Free radicals can also be formed by decomposition of aldehydes:
CH 2 O + sunlight --> CHO + H
CH 3 CHO + sunlight --> CH 3 + CHO

In the polluted atmosphere, most of the oxidation of NO to NO 2 is carried out by HO 2 and RO 2 . Oxidizable pollutants (hydrocarbons, aldehydes, CO) generate free radicals that react with O 2 to form RO 2 and HO 2 . They become degraded to other compounds, which are often still reactive. As O 3 levels build up, it becomes more probable that the O 3 will be destroyed by reacting with the hydrocarbons or free radicals, and the rate of ozone increase levels off. (See note 2 below.)

1 Nanometers (nm) are a measure of distance. One billion (10^9) equal one meter. When used to describe radiation this distance refers to wavelength. Radiation with a wavelength of 500 nm is blue-green visible light; radiation at 250 nm is a type of ultraviolet light called Ultraviolet-C.
2 Lambert J. L.; Paukstelis J. V.; Chiang Y. C. Environ. Sci Technol. 23:241 (1989)


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