O O OO O O OO OO O O O O O OH OO O O OO -pinene pinonic acid pinonaldehyde O O O stab. O OH O acetone and otherproducts stab. 0% OO + H 2 O O + H 2 O OO 50% O OH O OH 87.5% 12.5% 45% -O H -O H 60% 40% 50% -O H -C O + O 2 20% 55% + O 2 80% O O O C 9 acyl-oxy radical formaldehyde O OO O RO 2 or H O 2 + O 2 decom p. + O 2 O O decom p. OH -C O 2 decom p. OO decom p. isom. pinic acid + O 2 acetone, form aldehyde and otherproducts isom. + O 2 + O 2 decom p. 20% O O OH 10-hydroxy-pinonic acid OH 80% RO 2 or H O 2 RO 2 RO 2 H 2 O 2 H 2 O O 3 O 3 OO O O OH O OH OO OH OO OH O OH + H O 2 OH O O OH O O OO OH O O OH O O O OH O O O O O O O O O O O O O O O O O + H O 2 + H O 2 + H O 2 + H O 2 + H O 2 + H O 2 nitrate nitrate nitrate H abstraction O H addition 1,4 addition 1,2 addition O 2 O 2 O 2 O 2 O 2 NO NO NO NO NO NO O 2 9.0% 16.0% 1.0% 1.0% 9.0% 24.7% 7.0% 7.0% 21.0% 4.3% 'phenolic' 'peroxide-bicyclic' 'epoxy-oxy' O 2 O 2 O 2 isom. isom. decom p. decom p. decom p. decom p. Detailed chemical modelling based on the Master Chemical Mechanism (MCM) Mike Jenkin EMMA Group Department of Environmental Science and Technology [email protected]
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Detailed chemical modelling based on the Master Chemical Mechanism (MCM)
Detailed chemical modelling based on the Master Chemical Mechanism (MCM). Mike Jenkin EMMA Group Department of Environmental Science and Technology m.jenkin@ ic . ac .uk. Master Chemical Mechanism. Developed by a consortium of groups Imperial College London Leeds Meteorological Office - PowerPoint PPT Presentation
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O
O
OO
OO
OO
OO
O
O
O
O
O
OH
OO
O
O
OO
-pinene
pinonic acidpinonaldehyde
O
OO
stab.
O
OHO
acetone andother products
stab. 0%
OO
+ H2O
O
+ H2O
OO
50%
O
OHO
OH
87.5%12.5%
45%
- OH
- OH
60%40%
50%- OH- CO
+ O2
20%
55% + O2
80%
O
O
O
C9 acyl-oxy radical
formaldehydeO
OOO
RO2 or HO2 + O2
decomp.+ O2
O
O
decomp.
OH
- CO2
decomp.
OO
decomp.
isom.
pinic acid
+ O2
acetone, formaldehyde and other products
isom.
+ O2
+ O2 decomp.
20%O
O
OH
10-hydroxy-pinonic acid
OH80%RO2 or HO2
RO2
RO2
H2O2H2O
O3O3
OO
O
O
OH
O
OH
OO
OH
OO
OH
O
OH+ HO2
OHO
O
OHO
O
OO
OH
O
O
OHO
O
O
OH
O
O
O
O
O
O
O
O
O
OOO
OO
O
O
O
+ HO2+ HO2 + HO2
+ HO2
+ HO2
+ HO2
nitrate
nitrate
nitrate
H abstraction OH addition
1,4 addition1,2 addition
O2
O2
O2
O2
O2
NO
NO
NONO
NO
NO
O2
9.0%
16.0%
1.0%
1.0%
9.0%
24.7%7.0% 7.0%
21.0%
4.3%
'phenolic'
'peroxide-bicyclic'
'epoxy-oxy'
O2O2
O2
isom.
isom.
decomp.
decomp.decomp.
decomp.
Detailed chemical modelling based on the
Master Chemical Mechanism (MCM)
Mike JenkinEMMA GroupDepartment of Environmental Science and Technology [email protected]
Master Chemical Mechanism
Developed by a consortium of groups
• Imperial College London• Leeds• Meteorological Office• NETCEN (AEA Technology)
MCM: chemical processing of emissions
NOX nitrate
emissions
VOC
CH4
SO2
CO2, H2O
sulphate
MCM: chemical processing of emissions
NOX nitrate
emissions
Oxidant (O3, NO2, PAN)
VOC CO2, H2O
Secondary Organic Aerosol (SOA)
Degradation of CH4 and 124 non-methane VOC
ca. 4,500 chemical species ca. 12,500 chemical reactions
Non-methane VOC selected primarily on the basis of UK National Atmospheric Emissions Inventory (NAEI)
Provides a reasonable representation of major organic compounds emitted into the boundary layer in UK and other populated regions