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Here were going to investigate the important reactions thare are controlling HCOOH in the No Emissions and Emissions Simulations. The plots below show that HCOOH production is higher in the Emissions simulation. Unfortunately, while I did comment out the Emisssions within the run_boxmox.csh script, I didn’t remove the linked emissions file, so the model the same emissions file in each situation. My bad…..

Each line in the following plots are smoothed averages over the total simulations to better visualize the results. HCOOH and Glyoxal show signficant differences between the simulations, but very little difference for CH3COOH. It’s currently unclear why this is the case. Perhaps there is less consumop

There are a 14 total reactions that produce HCOOH, with only minor chemical sink. There reaction are:

  1. HOCH2OO + HO2 –> RO2_HO2 + HCOOH
  2. HOCH2OO + NO –> RO2_NO + HCOOH + NO2 + HO2
  3. C2H2 + OH –> VOC_OH + 0.35 HCOOH + 0.65 GLYOXAL + 0.35 CO + 0.65 OH + 0.35 HO2
  4. C2H4 + O3 –> 0.37 HCOOH + 0.63 CO + CH2O + 0.13 OH + 0.13 HO2
  5. C3H6 + O3 –> 0.12 CH3COOH + 0.1 CH4 + 0.12 HCOOH + 0.56 CO + 0.5 CH3CHO + 0.5 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3O2 + 0.2 CO2
  6. MACR + O3 –> 0.33 HCOOH + 0.65 CO + 0.88 CH3COCHO + 0.12 CH2O + 0.24 OH + 0.14 HO2 + 0.1 CH3CO3
  7. MVK + O3 –> 0.12 HCOOH + 0.56 CO + 0.1 CH3CHO + 0.5 CH3COCHO + 0.6 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3CO3 + 0.1 CO2
  8. ISOP + O3 –> 0.11 HCOOH + 0.62 CO + 0.13 C3H6 + 0.3 MACR + 0.2 MVK + 0.91 CH2O + 0.32 OH + 0.37 HO2 + 0.08 CH3CO3 + 0.05 CH3O2
  9. MBO + O3 –> 0.17 HCOOH + 0.7 HMPROP + 0.23 CH3COCH3 + 0.64 CO + 0.3 CH2O + 0.36 OH + 0.48 HO2
  10. APIN + O3 –> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2
  11. BCARY + O3 –> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2
  12. BPIN + O3 –> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2
  13. LIMON + O3 –> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2
  14. MYRC + O3 –> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2

There are 4 reactions that create CH3COOH

  1. CH3CO3 + CH3O2 –> RO2_RO2 + 0.1 CH3COOH + CH2O + 0.9 HO2 + 0.9 CH3O2 + 0.9 CO2
  2. HO2 + CH3CO3 –> RO2_HO2 + 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 OH + 0.15 O3 + 0.45 CH3O2
  3. C3H6 + O3 –> 0.12 CH3COOH + 0.1 CH4 + 0.12 HCOOH + 0.56 CO + 0.5 CH3CHO + 0.5 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3O2 + 0.2 CO2
  4. HO2 + MCO3 –> 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 CH2O + 0.45 OH + 0.15 O3 + 0.45 CH3CO3 + 0.45 CO2

Lets use the reaction rates and calculating the production of each process as a fraction.

For both sets of simulations, during the beginning of the simulation there are relatively simliar contributions from isoprene, alpha pinene, MVK, and MACR. As emissions occur, oxidation of C2H2 by OH becomes more important, and becomes dominant at the end of the simulation. For the non-emissions case, MVK and HOCH2OO reacting with NO and OH become more dominant, though the total production is negligible. Its clear reactions of biogenic VOCs and their oxidation products are important in HCOOH formation. Other biogenics like limonene and beta-caryophyllene contributions were not considered as we didn’t include their emissions in the simulations.

Now to look at Acetic Acid:

There are 4 reactions that for CH3COOH within the simulation

135 CH3CO3 + CH3O2 –> RO2_RO2 + 0.1 CH3COOH + CH2O + 0.9 HO2 + 0.9 CH3O2 + 0.9 CO2
136 HO2 + CH3CO3 –> RO2_HO2 + 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 OH + 0.15 O3 + 0.45 CH3O2
151 C3H6 + O3 –> 0.12 CH3COOH + 0.1 CH4 + 0.12 HCOOH + 0.56 CO + 0.5 CH3CHO + 0.5 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3O2 + 0.2 CO2
186 HO2 + MCO3 –> 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 CH2O + 0.45 OH + 0.15 O3 + 0.45 CH3CO3 + 0.45 CO2

##   ReactionNumber
## 1            135
## 2            136
## 3            138
## 4            151
## 5            186
##                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                               Reaction
## 1   CH3CO3 + CH3O2 --> RO2_RO2 + 0.1 CH3COOH + CH2O + 0.9 HO2 + 0.9 CH3O2 + 0.9 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 2     HO2 + CH3CO3 --> RO2_HO2 + 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 OH + 0.15 O3 + 0.45 CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                         
## 3     CH3COOH + OH --> VOC_OH + CH3O2 + H2O + CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                     
## 4        C3H6 + O3 --> 0.12 CH3COOH + 0.1 CH4 + 0.12 HCOOH + 0.56 CO + 0.5 CH3CHO + 0.5 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3O2 + 0.2 CO2                                                                                                                                                                                                                                                                                                                                                                              
## 5       HO2 + MCO3 --> 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 CH2O + 0.45 OH + 0.15 O3 + 0.45 CH3CO3 + 0.45 CO2
## [1] "#8DD3C7" "#FFFFB3" "#BEBADA" "#FB8072" "#80B1D3"
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'
## `geom_smooth()` using method = 'gam' and formula 'y ~ s(x, bs = "cs")'

In these simulations, production of CH3COOH is dominated by HO2+CH3CO3, which creates a distinct diurnal cycle within both simulations. Looking at the reactions that control CH3CO3

##    ReactionNumber
## 1              15
## 2              19
## 3              27
## 4              28
## 5              35
## 6              37
## 7              40
## 8              42
## 9              43
## 10             45
## 11             47
## 12             50
## 13             53
## 14             54
## 15             59
## 16            131
## 17            132
## 18            134
## 19            135
## 20            136
## 21            137
## 22            139
## 23            148
## 24            149
## 25            157
## 26            158
## 27            164
## 28            165
## 29            166
## 30            175
## 31            176
## 32            178
## 33            179
## 34            181
## 35            184
## 36            185
## 37            186
## 38            187
## 39            188
## 40            189
## 41            190
## 42            191
## 43            195
## 44            208
## 45            213
## 46            222
## 47            228
## 48            233
## 49            298
## 50            301
## 51            304
## 52            307
## 53            310
## 54            328
##                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Reaction
## 1            BIGALD --> 0.13 GLYOXAL + 0.45 CO + 0.18 CH3COCHO + 0.56 HO2 + 0.13 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                
## 2           BIGALD4 --> CO + CH3COCHO + HO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 3          CH3COCH3 --> CH3CO3 + CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 
## 4          CH3COCHO --> CO + HO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                              
## 5            HONITR --> 0.17 CH3COCH3 + 0.33 CO + 0.33 GLYALD + 0.33 CH3CHO + 0.17 HYAC + 0.33 CH2O + NO2 + 0.67 HO2 + 0.33 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                     
## 6              HYAC --> CH2O + HO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
## 7              MACR --> 0.67 CO + 0.67 CH2O + 0.33 OH + 0.67 HO2 + 0.67 CH3CO3 + 0.33 MCO3                                                                                                                                                                                                                                                                                                                                                                                                                             
## 8               MEK --> C2H5O2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                                
## 9            MEKOOH --> CH3CHO + OH + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
## 10              MVK --> 0.7 CO + 0.7 C3H6 + 0.3 CH3CO3 + 0.3 CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                                                     
## 11              NOA --> CH2O + NO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
## 12              PAN --> 0.6 NO2 + 0.4 NO3 + 0.6 CH3CO3 + 0.4 CH3O2 + 0.4 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                           
## 13             ROOH --> CH2O + OH + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                             
## 14          TEPOMUC --> 1.5 CO + HO2 + 0.5 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                      
## 15         TERPROD2 --> 0.5 CH3COCH3 + 1.7 CO + 0.15 RO2 + 0.68 CH2O + 1.2 HO2 + 0.65 CH3CO3 + 0.8 CO2                                                                                                                                                                                                                                                                                                                                                                                                                 
## 16     CH3CHO + NO3 --> HNO3 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  
## 17      CH3CHO + OH --> VOC_OH + CH3CO3 + H2O                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
## 18         2 CH3CO3 --> RO2_RO2 + 2 CH3O2 + 2 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                      
## 19   CH3CO3 + CH3O2 --> RO2_RO2 + 0.1 CH3COOH + CH2O + 0.9 HO2 + 0.9 CH3O2 + 0.9 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 20     HO2 + CH3CO3 --> RO2_HO2 + 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 OH + 0.15 O3 + 0.45 CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                         
## 21      CH3CO3 + NO --> RO2_NO + NO2 + CH3O2 + CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                     
## 22    CH3COOOH + OH --> VOC_OH + 0.5 CH2O + 0.5 CH3CO3 + H2O + 0.5 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                 
## 23     NO2 + CH3CO3 --> PAN                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
## 24          PAN + M --> NO2 + CH3CO3 + M                                                                                                                                                                                                                                                                                                                                                                                                                                                                               
## 25   CH3COCHO + NO3 --> HNO3 + CO + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                             
## 26    CH3COCHO + OH --> VOC_OH + CO + CH3CO3 + H2O                                                                                                                                                                                                                                                                                                                                                                                                                                                                     
## 27      RO2 + CH3O2 --> RO2_RO2 + 0.5 CH3OH + 0.2 HYAC + 0.5 CH3COCHO + 0.8 CH2O + 0.3 HO2 + 0.3 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                
## 28        RO2 + HO2 --> RO2_HO2 + 0.85 ROOH + 0.15 CH2O + 0.15 OH + 0.15 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                        
## 29         RO2 + NO --> RO2_NO + CH2O + NO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 30  MACRO2 + CH3CO3 --> 0.22 CO + 0.53 GLYALD + 0.22 HYAC + 0.25 CH3COCHO + 0.25 CH2O + 0.47 HO2 + 0.53 CH3CO3 + CH3O2                                                                                                                                                                                                                                                                                                                                                                                                 
## 31   MACRO2 + CH3O2 --> 0.25 CH3OH + 0.11 CO + 0.26 GLYALD + 0.23 HYAC + 0.24 CH3COCHO + 0.88 CH2O + 0.73 HO2 + 0.26 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                            
## 32     MACRO2 + NO3 --> 0.22 CO + 0.53 GLYALD + 0.22 HYAC + 0.25 CH3COCHO + 0.25 CH2O + NO2 + 0.47 HO2 + 0.53 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                   
## 33      MACRO2 + NO --> 0.22 CO + 0.53 GLYALD + 0.22 HYAC + 0.25 CH3COCHO + 0.25 CH2O + NO2 + 0.47 HO2 + 0.53 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                   
## 34        MACR + O3 --> 0.33 HCOOH + 0.65 CO + 0.88 CH3COCHO + 0.12 CH2O + 0.24 OH + 0.14 HO2 + 0.1 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                             
## 35    CH3CO3 + MCO3 --> CH2O + CH3CO3 + CH3O2 + 2 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                  
## 36     MCO3 + CH3O2 --> 2 CH2O + HO2 + CH3CO3 + CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
## 37       HO2 + MCO3 --> 0.15 CH3COOH + 0.4 CH3COOOH + 0.45 CH2O + 0.45 OH + 0.15 O3 + 0.45 CH3CO3 + 0.45 CO2                                                                                                                                                                                                                                                                                                                                                                                                           
## 38           2 MCO3 --> 2 CH2O + 2 CH3CO3 + 2 CO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                      
## 39        NO + MCO3 --> CH2O + NO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
## 40       NO3 + MCO3 --> CH2O + NO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
## 41      MEKO2 + HO2 --> RO2_HO2 + 0.8 MEKOOH + 0.2 CH3CHO + 0.2 OH + 0.2 CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                        
## 42       MEKO2 + NO --> RO2_NO + CH3CHO + NO2 + CH3CO3                                                                                                                                                                                                                                                                                                                                                                                                                                                                 
## 43         MVK + O3 --> 0.12 HCOOH + 0.56 CO + 0.1 CH3CHO + 0.5 CH3COCHO + 0.6 CH2O + 0.36 OH + 0.28 HO2 + 0.28 CH3CO3 + 0.1 CO2                                                                                                                                                                                                                                                                                                                                                                                       
## 44 ISOPAO2 + CH3CO3 --> RO2_RO2 + 0.39 MACR + 0.61 MVK + CH2O + HO2 + CH3O2 + CO2                                                                                                                                                                                                                                                                                                                                                                                                                                      
## 45 ISOPBO2 + CH3CO3 --> RO2_RO2 + HYDRALD + HO2 + CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                                                                
## 46 ISOPNO3 + CH3CO3 --> NC4CHO + HO2 + CH3O2                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
## 47        ISOP + O3 --> 0.11 HCOOH + 0.62 CO + 0.13 C3H6 + 0.3 MACR + 0.2 MVK + 0.91 CH2O + 0.32 OH + 0.37 HO2 + 0.08 CH3CO3 + 0.05 CH3O2                                                                                                                                                                                                                                                                                                                                                                              
## 48     XO2 + CH3CO3 --> RO2_RO2 + 0.25 GLYOXAL + 0.25 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + 0.25 CH2O + HO2 + CH3O2 + CO2                                                                                                                                                                                                                                                                                                                                                                                     
## 49        APIN + O3 --> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2                                                                                                                                                                                                                                                                                                                            
## 50       BCARY + O3 --> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2                                                                                                                                                                                                                                                                                                                            
## 51        BPIN + O3 --> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2                                                                                                                                                                                                                                                                                                                            
## 52       LIMON + O3 --> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2                                                                                                                                                                                                                                                                                                                            
## 53        MYRC + O3 --> 0.05 BIGALK + 0.05 HCOOH + 0.1 BIGALD + 0.52 CH3COCH3 + 0.23 CO + 0.3 TERPROD2 + 0.33 TERPROD1 + 0.06 RO2 + 0.34 CH2O + 0.63 OH + 0.57 HO2 + 0.06 CH3CO3 + 0.27 CO2                                                                                                                                                                                                                                                                                                                            
## 54    TERPROD2 + OH --> 0.5 CH3COCH3 + 0.7 CO + 0.15 RO2 + 0.68 CH2O + 0.2 HO2 + 0.65 CH3CO3 + 1.8 CO2
## [1] 54

There are 54 reactions that are involved with CH3CO3, making its analysis highly complicated. However, when looking at some of these reactions, it does appear that anthropogenic emissions are the driving mechanism behind its formation. However, does seem to be some biogenic formation of CH3COOH as well. Ratios of HCOOH/CH3COOH might be useful for anthropogenic formation of organic acids with field data (which as has been done before).

##    ReactionNumber
## 1             205
## 2             206
## 3             207
## 4             230
## 5             233
## 6             234
## 7             235
## 8             236
## 9             237
## 10            238
##                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Reaction
## 1        HPALD + OH --> VOC_OH + XO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 2      HYDRALD + OH --> VOC_OH + XO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 3        IEPOX + OH --> VOC_OH + XO2                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
## 4      ISOPOOH + OH --> VOC_OH + 0.6 IEPOX + 0.4 XO2 + 0.6 OH                                                                                                                                                                                                                                                                                                                                                                                                                                                          
## 5      XO2 + CH3CO3 --> RO2_RO2 + 0.25 GLYOXAL + 0.25 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + 0.25 CH2O + HO2 + CH3O2 + CO2                                                                                                                                                                                                                                                                                                                                                                                     
## 6       XO2 + CH3O2 --> RO2_RO2 + 0.3 CH3OH + 0.1 GLYOXAL + 0.2 CO + 0.1 GLYALD + 0.1 HYAC + 0.1 CH3COCHO + 0.8 CH2O + 0.8 HO2                                                                                                                                                                                                                                                                                                                                                                                         
## 7         XO2 + HO2 --> RO2_HO2 + XOOH                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 
## 8          XO2 + NO --> RO2_NO + 0.25 GLYOXAL + 0.25 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + 0.25 CH2O + NO2 + HO2                                                                                                                                                                                                                                                                                                                                                                                              
## 9         XO2 + NO3 --> 0.25 GLYOXAL + 0.5 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + NO2 + HO2                                                                                                                                                                                                                                                                                                                                                                                                                    
## 10        XOOH + OH --> VOC_OH + 0.5 XO2 + 0.5 OH

There are 25 reactions that form glyoxal, making it’s formation difficult to study.

3 BENZOOH –> 0.5 BIGALD1 + GLYOXAL + OH + HO2
15 BIGALD –> 0.13 GLYOXAL + 0.45 CO + 0.18 CH3COCHO + 0.56 HO2 + 0.13 CH3CO3
51 PHENOOH –> 0.7 GLYOXAL + OH + HO2
60 TOLOOH –> 0.2 BIGALD2 + 0.2 BIGALD1 + 0.2 BIGALD3 + 0.6 GLYOXAL + 0.4 CH3COCHO + OH + HO2
62 XYLENOOH –> 0.2 BIGALD2 + 0.21 BIGALD4 + 0.06 BIGALD1 + 0.15 BIGALD3 + 0.34 GLYOXAL + 0.54 CH3COCHO + OH + HO2
63 XYLOLOOH –> 0.17 GLYOXAL + 0.51 CH3COCHO + OH + HO2
122 C2H2 + OH –> VOC_OH + 0.35 HCOOH + 0.65 GLYOXAL + 0.35 CO + 0.65 OH + 0.35 HO2
144 GLYALD + OH –> VOC_OH + 0.2 GLYOXAL + 0.8 CH2O + HO2 + 0.8 CO2
217 ISOPBO2 + NO –> RO2_NO + 0.87 HYDRALD + 0.08 ISOPNITB + 0.05 GLYOXAL + 0.05 GLYALD + 0.05 HYAC + 0.05 CH3COCHO + 0.92 NO2 + 0.92 HO2
218 ISOPBO2 + NO3 –> 0.95 HYDRALD + 0.05 GLYOXAL + 0.05 GLYALD + 0.05 HYAC + 0.05 CH3COCHO + NO2 + HO2
232 NC4CHO + OH –> VOC_OH + GLYOXAL + NOA + HO2
233 XO2 + CH3CO3 –> RO2_RO2 + 0.25 GLYOXAL + 0.25 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + 0.25 CH2O + HO2 + CH3O2 + CO2
234 XO2 + CH3O2 –> RO2_RO2 + 0.3 CH3OH + 0.1 GLYOXAL + 0.2 CO + 0.1 GLYALD + 0.1 HYAC + 0.1 CH3COCHO + 0.8 CH2O + 0.8 HO2
236 XO2 + NO –> RO2_NO + 0.25 GLYOXAL + 0.25 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + 0.25 CH2O + NO2 + HO2
237 XO2 + NO3 –> 0.25 GLYOXAL + 0.5 CO + 0.25 GLYALD + 0.25 HYAC + 0.25 CH3COCHO + NO2 + HO2
255 BENO2 + NO –> 0.9 GLYOXAL + 0.9 BIGALD + 0.9 NO2 + 0.9 HO2
258 BENZO2 + NO –> RO2_NO + 0.5 BIGALD1 + GLYOXAL + NO2 + HO2
271 MALO2 + HO2 –> RO2_HO2 + 0.16 GLYOXAL + 0.16 CO + 0.16 HO2
272 MALO2 + NO –> RO2_NO + 0.4 GLYOXAL + 0.4 CO + NO2 + 0.4 HO2
274 MDIALO2 + HO2 –> RO2_HO2 + 0.07 GLYOXAL + 0.14 CO + 0.07 CH3COCHO + 0.4 OH + 0.33 HO2 + 0.07 CH3O2
275 MDIALO2 + NO –> RO2_NO + 0.17 GLYOXAL + 0.35 CO + 0.17 CH3COCHO + NO2 + 0.83 HO2 + 0.17 CH3O2
278 PHENO2 + NO –> RO2_NO + 0.7 GLYOXAL + NO2 + HO2
285 TOLO2 + NO –> RO2_NO + 0.2 BIGALD2 + 0.2 BIGALD1 + 0.2 BIGALD3 + 0.6 GLYOXAL + 0.4 CH3COCHO + NO2 + HO2
291 XYLENO2 + NO –> RO2_NO + 0.2 BIGALD2 + 0.21 BIGALD4 + 0.06 BIGALD1 + 0.15 BIGALD3 + 0.34 GLYOXAL + 0.54 CH3COCHO + NO2 + HO2
294 XYLOLO2 + NO –> RO2_NO + 0.17 GLYOXAL + 0.51 CH3COCHO + NO2 + HO2

However, we can look at some correlations between certain

When looking at a correlation matrix, glyoxal does not a have strong relationship with isoprene in the emissions case but does in the non emissions case. The organic acids seem well correlated with each other, but its stronger in the non-emssions case (which makes sense due to CH3COOH having more anthropogenic sources)