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What is the Uncertainty Caused by IC/BCs in the Regional/Urban Ozone Simulations?Linking CMAQ with GEOS-CHEM
Global/Regional/Urban Multiscale Study
Nan-Kyoung Moon and Daewon ByunInstitute for Multidimensional Air Quality Studies
(IMAQS)University of Houston
Rokjin Park and Daniel JacobHarvard University
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- Current usage; mostly rely on “climatological” fixed profiles
- Could be different at each side of domain reflecting certain regional differences
- Work best when outside the boundary of the domain does not have much direct emissions and no high concentration blobs already existing
- Need to study sensitivity of the model simulations to the different IC/BCs
- In reality fixed profiles are never accurate!
Regional air quality modeling requires prescription of IC/BCs
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O
Ozonesonde observation shows multiday and vertical
variations in the troposphere (Newchurch and Ayoub, 2000)
The reality provided by ozonesonde observation
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- Intermittent data in space and time
-Mostly ozone is the only parameter available
- There are many other important photochemical precursor species that must be prescribed
- The intra-relations among the species must be consistent
- Need a systematic IC/BC methods that can address above problems
- Let’s try to link global tropospheric model results with regional air quality model
Even with ozonesonde or other measurements….
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This is a global 3-D model of atmospheric chemistry driven by assimilated meteorological observations from the Goddard Earth Observing System (GEOS) of the NASA Data Assimilation Office (DAO).
It is being developed by groups at Harvard, Duke, NASA/GSFC, U. Washington, Rutgers U., JPL, EPFL/Lausanne, CNRS/Toulouse, and the University of L'Aquila, Italy, as a versatile tool for application to a wide range of atmospheric chemistry problems.
First Look 4.0 Late Look 4.0
Conventional Final Dump - NCEP Conventional CDAS Dump - NCEP
SSM/I (TPW only) Wentz SSM/I (TPW only)
Operational Sea Ice Operational Sea Ice
Interactive TOVS retrievals Interactive TOVS retrievals
QuickSCAT QuickSCAT
SBUV Ozone SBUV Ozone
SST - Downstream Average Reynolds SST - Centered Average
---- GADS (Passive)
NASA GEOS DAO Products
Harvard GEOS-CHEM model
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Air Quality Modeling with US EPA’s Models-3 CMAQ
CMAQChemistry Transport Model
Aerosol
Plumein
Grid
Gas-phaseChemistry
Diffusion
Photolysis rates
J PROC
WRFRAMSMM5
MeteorologicalModel Ouput
MCIPSMOKE
EmissionsProcessing
ECIP*
MEPPS*
Advection
CloudAqueousProcess
PDM
ICON/ BCONInit ial/ boundaryconditions
Processanalysis
Models-3Computational
Framework
Photolysis
SMOKE Tool
* Used in versions of CMAQ released before 2001
CommunityMulti-pollutantMulti-scaleAir QualityModelingSystem
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First, Horizontal & Vertical Interpolations needed
LAT-LON 2 degree X 2.5 degree
20 layers in Sigma P
LAMBERT CONFORMAL
108 km X 108 km
23 layers in Sigma Z (Po)
Initial & Boundary Condition
in IO/API Format in 108km resolution
GEOS-CHEM (Goddard Earth Observing System-CHEMisrty)
MODEL3 CMAQ(Community Multi-scale/pollutant Air Quality model)
To link GEOS_CHEM with EPA’s CMAQ ……
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O3-NOX-Hydrocarbon chemistry : 24 species24 species
CMAQ
CB4O3-NOx-Hydrocarbon
chemistry
[NO2 ] [NOx ]
[O3 ] [Ox ] - [NOx ]
[N2O5] [N2O5]
[HNO3] [HNO3]
[PNA ] [HNO4]
[H2O2] [H2O2]
[CO ] [CO ]
[PAN ] [PAN ] + [PMN ] + [PPN ]
[MGLY] [MP ]
[ISPD] [MVK ] + [MACR]
[NTR ] [R4N2]
[FORM] [CH2O]
[ALD2] [ALD2] + [RCHO]
[PAR ] [ALK4] + [C3H8] + [C2H6]
[OLE ] [PRPE]
[ISOP] [ISOP]
GEOS-CHEM
CB4 : 16 species16 species
Un-used species : ACET
Second, develop procedures matching GEOSCHEM and CMAQ chemistry mechanism
CB-4 example
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GEOS2CMAQGEOS2CMAQGEOS2CMAQGEOS2CMAQ
LAT-LON 2O X 2.5O
w/ GEOSCHEM vertical coordinate
Chemistry Mapping
CB4 & SAPRC
IC/BC Process
IC/BC for
CMAQ resolution
The diagram of linkage between GEOSCHEM and CAMQ
LAMBERT CONFORMAL
w/ 108 km I/OAPI on CMAQ/MM5
vertical coordinate
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• Possible inconsistencies between the global and regional scale dynamics
- inflow conditions at the boundary
- differences in the evolution of dynamics with time
• Remedy (yet to be tested)
- Run regional scale model with global scale output as input for initialization and analysis nudging
cf: Currently most uses EDAS as basic input for MM5
Issues in linking GEOSCHEM and CMAQ (1)
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GEOSCHEM ; DAO
Comparison of Wind FieldsComparison of Wind Fields
GEOSCHEN : W -NWesterly (inflow)
MM5 : Northerly (parallel to grid)
Let’s see how big the problem is:
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GEOSCHEM ; DAO
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GEOSCHEM : Easterly and northerlyMM5 : Clock wise rotation motion
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GEOSCHEM : inflowMM5 : outflow
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• Chemistry Issues:- coarse resolution concentration distribution in global scale move into fine scale regional grid
- differences in the evolution of concentration patterns with time
- different chemical mechanism representation
- different representation of atmospheric reactivity in the coarse scale
• Remedy
- use as much consistent chemistry mechanisms (TBD)
Issues of linking GEOSCHEM and CMAQ (2)
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Mapping Table
SAPRACO3-NOx-Hydrocarbon
chemistry
[NO2 ] [NOx ] – [NO]
[PAN] [PAN]
[CO] [CO]
[ALK3] [ALK4]+[ALK5 [ALK4]
[ISOPRENE ] [ISOP]
[HNO3] [HNO3]
[H2O2] [H2O2]
[ACET ] [ACET]
[MEK] [MEK]
[CCHO] [ALD2]
[RCHO] [RCHO]
[MRTHACRO] [MACR]
[MA_PAN] [PMN]
[MVK] [MVK]
[PAN2] [PPN]
SAPRACO3-NOx-Hydrocarbon
chemistry
[RNO3] [R4N2]
[OLE1] + [OLE2] [PRPE]
[ALK2] [C3H8]
[HCHO] [CH2O]
[ALK1] [C2H6]
[N2O5] [N2O5]
[HNO4] [HNO4]
[COOH ] [MP]
CMAQ
GEOS-CHEM
SAPRAC-99
(yet to be simulated)
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Horizontal distribution of O3 concentration from GEOS-CHEM global output at Layer 1
108km resolution2 X 2.5 degree resolution
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Horizontal distribution of CO concentration from GEOS-CHEM global output at Layer 1
108km resolution2 X 2.5 degree resolution
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1. GEOSCHEM vs. CMAQ CONUS
2. CMAQ CONUS vs. CMAQ Regional 36-km
3. Effects of using different IC/BCs- profile vs. GEOS-CHEM for CONUS domain
Comparative Study with CMAQ
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The comparison of vertical cross section between GEOSCHEM and CONUS results
GEOSCHEM 108km CONUS 36km
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O3.. August 16, 2000, 00UTC (First day of simulation)
GEOSCHEM CONUS
August 16, 2000 (First day of simulation)September 1, 2000 (Last day of simulation)
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September 1, 2000. 09 & 21UTC
GEOSCHEM
CONUS
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CO.. August 16, 2000, 00UTC
GEOSCHEM CONUS
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September 1, 2000. 09 & 21UTC
GEOSCHEM
CONUS
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NO2.. August 16, 2000, 00UTC
GEOSCHEM CONUS
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September 1, 2000. 09 & 21UTC
GEOSCHEM
CONUS
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The comparison of vertical cross section for O3, CO, FORM and NO2 between Regional vs CONUS 36-km CMAQ results.
ICBC from GEOSCHEM 108km data
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O3, August 31, 2000. 09 & 21 UTCO3, August 31, 2000. 09 & 21 UTC
Comparison of horizontal distribution between CONUS and Regional 36kmComparison of horizontal distribution between CONUS and Regional 36km
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CO, August 31, 2000. 09 & 21 UTCCO, August 31, 2000. 09 & 21 UTC
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The comparison of vertical cross section between CONUS and regional domain results
CONUS 36km Regional 36km
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August 31, 2000. 09 & 21UTC
C
O
N
U
S
Regional36km
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August 31, 2000. 09 & 21UTC
C
O
N
U
S
Regional36km
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The comparison for O3, CO and NO2
between
profile IC/BC vs. IC/BC from GEOSCHEM 108km data
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Profile Data Case GEOS-CHEM Data Case
The comparison of CMAQ results in different IC and BC (2000.08.25. 09, 21UTC)
03AM CST
03PM CST
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08/28/2000 03AM CST 09AM CST
12:00 CST 03PM CST
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Profile Data Case GEOS-CHEM Data Case
Continued, now at 4-km resolution
(August, 26, 2000, 21UTC)
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Conclusive Remarks
•Issues related with linking global tropospheric chemistry model with regional air quality model has been studied
•Problems with current fixed profile method identified
•Global tropospheric model provides needed dynamic evolution and concentration distribution realism not existing in profile method
•We observe significant changes in the atmospheric reactivity conditions depending on profile vs. GEOSCHEM IC/BC
•Global-regional scale linking is the best when outside the regional domain boundary does not have much direct emission sources; e.g., CONUS domain
•Need to study the issues of harmonization of chemical mechanisms further
•Need to quantify and minimize the effects of different dynamics between the global and regional meteorological data used