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Progress in Chemistry 2021, Vol. 33 Issue (7): 1175-1187 DOI: 10.7536/PC200749 Previous Articles   Next Articles

• Review •

Parameterization and Application of Hydroperoxyl Radicals(HO2) Heterogeneous Uptake Coefficient

Huan Song, Qi Zou, Keding Lu*()   

  1. College of Environmental Sciences and Engineering, Peking University, Beijing 100871, China
  • Received: Revised: Online: Published:
  • Contact: Keding Lu
  • About author:
    * Corresponding author e-mail:
  • Supported by:
    National Natural Science Foundation of China(21976006); National Natural Science Foundation of China(91844301)
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The heterogeneous uptake reactions of hydroperoxyl radicals(HO2) on ambient atmospheric aerosols have been proposed to be a significant sink of HO2 radicals, thus could influence the atmospheric oxidation capacity and properties of atmospheric particles. The quantitative description of the heterogeneous reaction process of HO2 is of great significance to the exploration of atmospheric oxidation and ozone generation capacity in different regions. The HO2 uptake coefficients measured by different research groups can differ by 3 to 5 orders of magnitude. Exploration of the heterogeneous uptake mechanism of HO2 radical on different types of aerosols under different conditions, accurately parameterized expression of the uptake coefficient is the key to quantifying its environmental impacts. This article introduces the mechanism and parameterized expressions of HO2 heterogeneous uptake, reviews the existing research results and progress, summarizes and analyzes the different influencing factors, and makes suggestions and prospects for the future development.

Contents

1 Introduction

2 Research progress of HO2 radical heterogeneous reaction

3 Measurements of $\gamma_{HO_{2}}$ with aerosol particles

4 Factors influencing HO2 heterogeneous uptake

4.1 Effects of relative humidity and temperature on HO2 heterogeneous uptake

4.2 Promoting effect of transition metal ions on $\gamma_{HO_{2}}$

4.3 Effects of reaction time and initial HO2 concentration on $\gamma_{HO_{2}}$

4.4 Effect of aerosol pH on $\gamma_{HO_{2}}$

5 Parameterized expressions of HO2 heterogeneous uptake

5.1 Expression and characteristic time of each sub-step of heterogeneous reaction

5.2 Resistance model

5.3 Application of empirical equations of $\gamma_{HO_{2}}$ in the model

6 Conclusion

Key words: hydroperoxyl radicals(HO2), heterogeneous, aerosol, atmospheric oxidation capacity
Fig. 1 Measurement results of heterogeneous uptake coefficients of different media and HO2. SS is the liquid surface[28,29,17], TF is the thin film[30⇓~32], DA is the mineral aerosol[23,27,33], DIA is the dry inorganic aerosol[34⇓~36], WIA is the wet inorganic aerosol[34⇓⇓~37], OA is the organic aerosol[23,24,38,39], Cu-SA is the sulfate aerosol containing copper ion[12,34,35,37,40], Cu-CA is a chloride aerosol coupled with copper ions[34,36], EDTA/Cu is an EDTA aerosol coupled with copper ions[40], and OxA/Cu is an oxalic acid aerosol coupled with copper ions[40]. It can be seen from the figure that the uptake coefficient of HO2 varies with different reaction media. The median uptake coefficient of media without copper ions is generally between 0.01 and 0.8. EDTA and oxalic acid can reduce the heterogeneous uptake of HO2. The uptake coefficient of other organic aerosols is not significantly different from that of inorganic aerosols. The heterogeneous uptake coefficient of HO2 containing copper ions is generally higher than the accumulation coefficient.
Fig. 2 The relationship between the HO2 second-order rate constant of self-reaction in the liquid phase and the pH. Without considering the effects of transition metals, nitrogen oxides, organics and other substances, the liquid-phase chemical reaction between the liquid-phase hydroxide reactant and HO2 is affected by pH, which peaks at 4 to 5, and then drops rapidly.
Fig. 3 Schematic diagram of mass transfer process in gas-liquid heterogeneous reaction
Table 1 Summary of empirical equations for γ H O 2 on different aerosol surfaces[69]
Aerosol type γ H O 2 Empirical equation ref
Sulfate α×β,
α=5.145×10-4exp(1560/T);
β=(-26.18exp(-0.078×RH)+1.745)		 31,34
Organic carbon (OC) 0.025 70
Black carbon (BC) 0.01 71,72
NaCl 5.66 × 10 - 5 exp 1560 T
( RH < 62 % ) ;
0.05 ( RH > 62 % )		 31,34
Dust aerosol 0.1 ( RH > 50 % ) ;
0.05 ( RH < 50 % )		 73
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