Environmental Engineering Reference
In-Depth Information
3
Chemical Kinetics and Oxidation Mechanisms
Between O
3
and NO
x
/SO
2
/Hg
3.1 Introduction on Kinetics Modelling
Dynamics simulations and sensitivity analysis were performed by using the
SENKIN module
[1]
in the CHEMKIN software package. The reaction rate of the
branched-chain reaction varies under different conditions. Thus, to evaluate the
chemical kinetics effect on reactions of ozone and NO
x
/SO
2
/Hg, varying various
parameters to obtain a more correct choice of elementary reaction and kinetics
parameters and a more precise modelling of reaction progress is defined and there
related information is gathered during the modelling process. Meanwhile, the
crucial factors, which comprise the reaction rate sensitivity, density sensitivity, and
temperature sensitivity and have a significant effect on the reaction, are attached
much more significance. Through sensitivity analysis, the limit rate reaction in the
chemical reaction system can be obtained. Furthermore, relationships between
various reactions and the importance of these interrelated reactions in the entire
system can also be analyzed. The novel chemical kinetics mechanisms between
ozone and flue gas components are to be uncovered finally.
So far, the research on chemical reaction mechanisms of O
3
and various
pollutants in flue gas is still rarely reported. Based on our frontier research on this
subject and the development in the crucial area of national interest, novel reaction
mechanisms
between ozone and typical flue gas are put forward firstly in the topic.
Here, the typical flue gas consists of NO
x
, SO
2
, Hg, HF, HCl, Cl
2
, H
2
S, HCl, CO,
and so on (40 species in total). 40 species were attentively employed to study the
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