Presentation is loading. Please wait.

Presentation is loading. Please wait.

Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CMAQ Model Performance Evaluation with the.

Published byCassandra Banks Modified over 8 years ago

Similar presentations

Presentation on theme: "Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CMAQ Model Performance Evaluation with the."— Presentation transcript:

1 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CMAQ Model Performance Evaluation with the updated CB4-2002 Chao-Jung Chien, Gail Tonnesen, Bo Wang Tiegang Cao, Zion Wang, Mohammad Omary, Youjun Qin University of California – Riverside, CE-CERT Models-3 CMAS Workshop, Oct.27-29, 2003, RTP, NC

2 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CB4 mechanism update Current regulatory version of CB4 (Gery et al. 1989) has modifications but is outdated. New updated CB4, CB4-2002, released by Jeffries et al. in late 2002 –Contains 100 principle reactions and same CB4 model species (excluding secondary organic aerosol precursor species and aqueous species) –Fully re-evaluated with smog chamber data –Better documentation; the old CB4 in which many of the changes since 1989 have not been well documented. –Four versions of “swappable” olefin chemistry. Recommended replacement version is used.. ! KINETICS DATA SOURCES: !'97 NASA DOCUMENT: !"CHEMICAL KINETICS AND PHOTOCHEMICAL DATA FOR USE IN ! STRATOSPHERIC MODELING," DEMORE, ET AL., JANUARY 15, ! 1997, JPL PUBLICATION 97-4. ! '97 IUPAC DOCUMENT: ! "EVALUATED KINETIC AND PHOTOCHEMICAL, AND ! HETEROGENEOUS DATA FOR ATMOSPHERIC CHEMISTRY: ! SUPPLEMENT V," ATKINSON, ET AL., ! J. PHYS. CHEM. REF DATA, VOL 26, NO 3 AND NO 6, 1997.. NO3 + NO2 = N2O5 # 2.00E-30^-4.4&1.40E-12^-0.7; N2O5 = NO3 + NO2 # 3.0E-27@-10991.0*E ; ! IB5F: NASA00, T2, T3; IB5R KEQ=3.0E-27@-10991/T). ! AND HOMOGENEOUS HYDROLYSIS ONLY; WAHNER ET AL, GRL, 25(12):2169, 1998 N2O5 + H2O = 2.0*HNO3 # 2.5E-22; N2O5 + H2O + H2O = 2.0*HNO3 + H2O # 1.8E-39;

3 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Major revisions in CB4 mechanism update Updated photolysis rates; applying 12 photolysis rates, an expansion from current 7 (6 original) photolysis rates used in CB4. ReactionCB4CB4_2002 O3 = O3P0.053/ J[O3_to_O3P] O3 = O1D1.0/ J[O3_toO1D] NO3 = 0.89*OH + 0.89*O +0.11*NO33.9/ J[NO3_NO] & J[NO3_NO2] HONO = OH+ NO0.1975/ J[HONO_NO] HONO = HO2 + NO2J[HONO_NO2] H2O2 = 2*OH0.255 / J[H2O2_OH] FORM = 2*HO2 + CO1.0/ J[HCHO_HO2] FORM = CO1.0/ J[HCHO_H2] ALD2 = XO2 +2*HO2 + CO + FORM1.0/ J[CH3CHO_HCO] OPEN = C2O3 + HO2 + CO9.04/ J[CHCHO_HO2] MGLY= C2O3 + HO2 + CO9.64/ J[CHCHO_HO2] ISPD = 0.333*CO + 0.067*ALD2 + 0.9*FORM + 0.832*PAR + 1.033*HO2 + 0.7*XO2 + 0.967*C2O 30.0036/ 0.001/J[ACRO_RO2]

4 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Major revisions in CB4 mechanism update (cont’d) Additional homogeneous N2O5 hydrolysis reaction are added: –N2O5 + H2O + H2O  2HNO3 + H2O (Wahner et al. GRL, 1998) Reaction CB4 (v.0301) CB4 (v.0602) CB4 (v4.3) CB4_02 N2O5 + H2O  2HNO3 k = 1.3x10 -21 k = 2.6x10 -22 k = 0.0k = 2.6x10 -22 N2O5 + H2O + H2O  2HNO3 + H2O k = 1.8x10 -39

5 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Reaction rate of OH + NO2  HNO3, recommended by Troe (2001) is used. (12% lower than current CMAQ rate) * from Jeffries et al. (2002) Major revisions in CB4 mechanism update (cont’d) Comparison of four recommendations for the reaction rate of OH + NO2 ( at 300K )* 92% 138% 100% 112% J. TROE, Int. J. Chem. Kin. 33, 2001 IUPAC NASA Troe CMAQ

6 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Major revisions in CB4 mechanism update (cont’d) Other major revisions made in CB4_2002 from old CB4 –Reaction rates and product distributions are updated to reflect the most recent research findings; changes also include: New kinetic rate expression for HONO formation, and the use of new cross-sections for the HONO dissociations. Updated PAN formation and decay kinetics. Revised rates and product yields for Olefin chemistry: OLE/ETH + O3 (NO3, O3P)  to be consistent with current literature. However, aromatic chemistry left unchanged.

7 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Additional reactions added to CB4_2002 ADDED RXNS CB4_2002, k N2O5 + H2O + H2O= 2HNO3 + H2O1.8E-39 NO3 + OH= NO2 + HO22.2E-11 NO3+ HO2 = HNO3 + O29.2E-13 NO3+ NO3 = 2NO2 + O28.5E-13 @ 2450 O3+ O(3P) = 2O28E-12 @ 2058 HONO = HO2 + NO2J[HONO_NO2] OH+ HO2 = O2 + H2O4.8E-11 @ -250 “… some reactions are in the mechanism just for those conditions that are quite different than the ones in the outdoor chamber simulation…” Jeffries H.

8 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Implementation of CB4_2002 with aerosol and aqueous extensions in CMAQ v.4.3 CB4_02_AE3_AQ CB4_2002 in “Morpho” language format, needs to be converted to CMAQ format Followed the changes made in cb4 for new version of CMAQ –New deposition velocity surrogates –New cloud scavenging surrogates –Eliminated advection and diffusion of fast-reacting species (e.g. OH, HO2) –Modified gas-phase Monoterpene reaction rates (to be consistent with those in SAPRC mechanism). With and without gaseous reaction rate constants for N2O5 hydrolysis (Sensitivity run : CB4_02 _zeroN2O5 ) Process new photolysis rate tables (JTables)

9 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Evaluation of CB4_2002 CMAQ v.4.3; smvgear option –CB4_02_ae3_aq with gaseous N2O5 reactions (CB4_02) –CB4_02_ae3_aq zero out gaseous N2O5 reactions (CB4_02_zeroN2O5) WRAP 1996 January and July episodes Model difference: CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 –Daily average spatial plots and domain daily average time series plots for O3, HNO3, PAN, N2O5, ANO3, ASO4, and SOA Comparisons against ambient data: –Normalized Mean Bias (NMB%) and Mean Fractionalized Bias (MFB%) –AQS (AIRS): July hourly O 3 –IMPROVE: daily NO3, SO4, OC –CASTNet: July daily HNO3, NO3, NH4, SO2, SO4

10 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside O3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January Jan. daily average concentration comparison. Hourly variations as high as 40 ppb. CB4_02_zeroN2O5 produced highest avg. O3 concentration. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

11 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside O3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ July daily average concentration comparison. Higher O3 in urban areas. Hourly variations more than 100 ppb in some areas. CB4 produces highest average O3, while CB4_02 least.

12 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside HNO3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January Jan. daily average concentration comparison. CB4_02 produced more than 1 ppb HNO3 than CB4. CB4 and CB4_02_zeroN2O5 produces similar HNO3. 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __

13 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside HNO3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg. July daily average concentration comparison. CB4_02 higher in urban areas. Hourly variations as high as 10 ppb. CB4_02 produces highest average HNO3, whereas CB4_02_zeroN2O5 least.

14 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside PAN, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

15 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside PAN, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

16 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside N2O5, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

17 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside N2O5, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

18 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside ANO3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January Jan. daily average concentration comparison. CB4_02 produced as high as 5 ug/m 3 of NO3 than CB4. CB4 and CB4_02_zeroN2O5 produces similar NO3. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

19 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside ANO3, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July July daily average concentration comparison. CB4_02 produced more than 2 ug/m 3 of NO3 than CB4 in some areas. CB4_02 produced highest NO3 average; CB4 produced a little higher than CB4_02_zeroN2O5. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ 1 st Layer Domain Daily Avg.

20 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside ASO4, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January Jan. daily average concentration comparison. CB4 produced less than 0.5 ug/m3 SO4 than CB4_02. CB4 produced slightly lower SO4 than CB4_02 and CB4_02_zeroN2O5. 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __

21 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside ASO4, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __ July daily average concentration comparison. As high as 1 ug/m 3 of difference between CB4 and CB4_02. Overall, CB4_02_zeroN2O5 produced similar SO4 avg. to CB4_02.

22 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside SOA, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 January Jan. daily average concentration comparison. No significance difference. All three produced similar avg. conc. of SOA. 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __

23 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside SOA, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 July July daily average concentration comparison. CB4 produced slightly higher than CB4_02. CB4_02_zeroN2O5 produced similar SOA avg. to CB4_02. 1 st Layer Domain Daily Avg. CB4 __ CB4-02 __ CB4-02-zeroN2O5 __

24 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside AQS, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 O3_July CB4CB4_02CB4_02_zeroN2O5 NMB(%)-3.6-5.5-3.9 MFB(%)5.12.64.3

25 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside IMPROVE, January, Normalized Mean Bias

26 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside IMPROVE, July, Normalized Mean Bias

27 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CASTNet, July, CB4 vs. CB4_02 vs. CB4_02_zeroN2O5 G_HNO3P_NO3T_NO3 CB4CB4_02 CB4_02 (zeroN2O5) CB4CB4_02 CB4_02 (zeroN2O5) CB4CB4_02 CB4_02 (zeroN2O5) NMB(%) 12198-61-52-62-53-8 MFB(%) 470.2-103-96-106-12-9-16 G_SO2P_SO4P_NH4 CB4CB4_02 CB4_02 (zeroN2O5) CB4CB4_02 CB4_02 (zeroN2O5) CB4CB4_02 CB4_02 (zeroN2O5) NMB(%) 48 -31-30-29-14-11-12 MFB(%) 28 -41-40-39-25-23

28 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Summary of CB4_2002 modeling results Major difference found for O3, HNO3, ANO3 –Higher O3 concentration in urban area but lower in rural area. (probable cause: combined effect of OH+NO2 rate, less long range transport of PAN formation) Comparisons with ambient data: –Improvements are mixed and relatively small Should gaseous N2O5 reactions be taken out? Would it sensitive to emission changes (control runs)? Next steps… Process analysis to identify key contributors to the changes Implement EBI/MEBI (Modified Euler Backward Iterative) solver for CB4_02 Implement paraffin secondary organic aerosol into CB4_02. Improve aromatic chemistry mechanism.

29 Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Summary of CB4_2002 modeling results Bottom line… –In spite of relatively small changes comparing the ambient data, CB4_2002 has better science and should be included in future CMAQ release.

Download ppt "Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside CMAQ Model Performance Evaluation with the."

Similar presentations

Regional Haze Modeling: Recent Modeling Results for VISTAS and WRAP October 27, 2003, CMAS Annual Meeting, RTP, NC University of California, Riverside.

Regional Haze Modeling: Recent Modeling Results for VISTAS and WRAP October 27, 2003, CMAS Annual Meeting, RTP, NC University of California, Riverside.
Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Model Performance Metrics, Ambient Data Sets.

Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Model Performance Metrics, Ambient Data Sets.
EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY Roger Atkinson Air Pollution Research Center University of California Riverside, CA.

EVALUATED KINETIC AND PHOTOCHEMICAL DATA FOR ATMOSPHERIC CHEMISTRY Roger Atkinson Air Pollution Research Center University of California Riverside, CA.
COMPARATIVE MODEL PERFORMANCE EVALUATION OF CMAQ-VISTAS, CMAQ-MADRID, AND CMAQ-MADRID-APT FOR A NITROGEN DEPOSITION ASSESSMENT OF THE ESCAMBIA BAY, FLORIDA.

COMPARATIVE MODEL PERFORMANCE EVALUATION OF CMAQ-VISTAS, CMAQ-MADRID, AND CMAQ-MADRID-APT FOR A NITROGEN DEPOSITION ASSESSMENT OF THE ESCAMBIA BAY, FLORIDA.
Template Development and Testing of PinG and VBS modules in CMAQ 5.01 Prakash Karamchandani, Bonyoung Koo, Greg Yarwood and Jeremiah Johnson ENVIRON International.

Template Development and Testing of PinG and VBS modules in CMAQ 5.01 Prakash Karamchandani, Bonyoung Koo, Greg Yarwood and Jeremiah Johnson ENVIRON International.
Photochemical Model Performance for PM2.5 Sulfate, Nitrate, Ammonium, and pre-cursor species SO2, HNO3, and NH3 at Background Monitor Locations in the.

Photochemical Model Performance for PM2.5 Sulfate, Nitrate, Ammonium, and pre-cursor species SO2, HNO3, and NH3 at Background Monitor Locations in the.
Biocomplexity Project: N-deposition Model Evaluation UCR, CE-CERT, Air Quality Modeling Group Model Performance Evaluation for San Bernardino Mountains.

Biocomplexity Project: N-deposition Model Evaluation UCR, CE-CERT, Air Quality Modeling Group Model Performance Evaluation for San Bernardino Mountains.
Preliminary Results CMAQ and CMAQ-AIM with SAPRC99 Gail Tonnesen, Chao-Jung Chien, Bo Wang, UC Riverside Max Zhang, Tony Wexler, UC Davis Ralph Morris,

Preliminary Results CMAQ and CMAQ-AIM with SAPRC99 Gail Tonnesen, Chao-Jung Chien, Bo Wang, UC Riverside Max Zhang, Tony Wexler, UC Davis Ralph Morris,
Incorporation of the Model of Aerosol Dynamics, Reaction, Ionization and Dissolution (MADRID) into CMAQ Yang Zhang, Betty K. Pun, Krish Vijayaraghavan,

Incorporation of the Model of Aerosol Dynamics, Reaction, Ionization and Dissolution (MADRID) into CMAQ Yang Zhang, Betty K. Pun, Krish Vijayaraghavan,
Improving the Representation of Atmospheric Chemistry in WRF William R. Stockwell Department of Chemistry Howard University.

Improving the Representation of Atmospheric Chemistry in WRF William R. Stockwell Department of Chemistry Howard University.
Distribution of H 2 O and SO 2 in the atmosphere of Venus Yung Y. 1, Zhang X. 1, Liang M.-C. 2 and Parkinson C. 3 1 California Institute of Technology.

Distribution of H 2 O and SO 2 in the atmosphere of Venus Yung Y. 1, Zhang X. 1, Liang M.-C. 2 and Parkinson C. 3 1 California Institute of Technology.
CENRAP Modeling Workgroup Mational RPO Modeling Meeting May 25-26, Denver CO Calvin Ku Missouri DNR May 25, 2004.

CENRAP Modeling Workgroup Mational RPO Modeling Meeting May 25-26, Denver CO Calvin Ku Missouri DNR May 25, 2004.
Evaluation of MCM v3, using environmental chamber data P. G. Pinho 1, C.A. Pio 1 and M.E. Jenkin 2 1 Departamento de Ambiente e Ordenamento, Universidade.

Evaluation of MCM v3, using environmental chamber data P. G. Pinho 1, C.A. Pio 1 and M.E. Jenkin 2 1 Departamento de Ambiente e Ordenamento, Universidade.
Impact of chemistry scheme complexity on UK air quality modelling Met Office FitzRoy Road, Exeter, Devon, EX1 3PB United Kingdom Tel: 01392 886136 Fax:

Impact of chemistry scheme complexity on UK air quality modelling Met Office FitzRoy Road, Exeter, Devon, EX1 3PB United Kingdom Tel: Fax:
Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Modeling Source Apportionment Gail Tonnesen,

Center for Environmental Research and Technology/Air Quality Modeling University of California at Riverside Modeling Source Apportionment Gail Tonnesen,
Beta Testing of the SCICHEM-2012 Reactive Plume Model James T. Kelly and Kirk R. Baker Office of Air Quality Planning & Standards US Environmental Protection.

Beta Testing of the SCICHEM-2012 Reactive Plume Model James T. Kelly and Kirk R. Baker Office of Air Quality Planning & Standards US Environmental Protection.
University of California Riverside, ENVIRON Corporation, MCNC WRAP Regional Modeling Center WRAP Regional Haze CMAQ 1996 Model Performance and for Section.

University of California Riverside, ENVIRON Corporation, MCNC WRAP Regional Modeling Center WRAP Regional Haze CMAQ 1996 Model Performance and for Section.
National/Regional Air Quality Modeling Assessment Over China and Taiwan Using Models-3/CMAQ Modeling System Joshua S. Fu 1, Carey Jang 2, David Streets.

National/Regional Air Quality Modeling Assessment Over China and Taiwan Using Models-3/CMAQ Modeling System Joshua S. Fu 1, Carey Jang 2, David Streets.
Yuzhi Chen 13th CMAS Assessment of SAPRC07 with Updated Isoprene Chemistry against Outdoor Chamber Experiments Yuzhi Chen a, Roger Jerry a, Kenneth Sexton.

Yuzhi Chen 13th CMAS Assessment of SAPRC07 with Updated Isoprene Chemistry against Outdoor Chamber Experiments Yuzhi Chen a, Roger Jerry a, Kenneth Sexton.
Comparison of three photochemical mechanisms (CB4, CB05, SAPRC99) for the Eta-CMAQ air quality forecast model for O 3 during the 2004 ICARTT study Shaocai.

Comparison of three photochemical mechanisms (CB4, CB05, SAPRC99) for the Eta-CMAQ air quality forecast model for O 3 during the 2004 ICARTT study Shaocai.

Similar presentations

Ads by Google