Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division Photo image area measures 2” H x 6.93” W and can be masked by a collage strip of one, two or three images. The photo image area is located 3.19” from left and 3.81” from top of page. Each image used in collage should be reduced or cropped to a maximum of 2” high, stroked with a 1.5 pt white frame and positioned edge-to-edge with accompanying images. December 24, 2015 Incremental Testing of the Community Multiscale Air Quality (CMAQ) Modeling System Version 4.7 Shawn J. Roselle, K. Wyat Appel, Kristen M. Foley, Prakash V. Bhave, Jonathan E. Pleim, Rohit Mathur, Tanya L. Otte, Robert C. Gilliam, Golam Sarwar, Christopher G. Nolte, Alice B. Gilliland, Robert W. Pinder, and Jenise L. Swall

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 2 Acknowledgements Model Developers contributing to CMAQv4.7: Jesse Bash Prakash Bhave Arastoo Pour Biazar (UAH) Frank Binkowski (UNC) Russ Bullock Ann Marie Carlton Ellen Cooter Bill Hutzell Jim Kelly (now with CARB) Rohit Mathur Sergey Napelenok Chris Nolte Tanya Otte Jon Pleim George Pouliot Shawn Roselle Golam Sarwar Donna Schwede Uma Shankar (UNC) David Wong Aijun Xiu (UNC) Jeff Young WRF simulations: Rob Gilliam Tanya Otte Jon Pleim Support: model simulations, emissions processing, data extractions, IC/BCs Lucille Bender (CSC) Charles Chang (CSC) Ryan Cleary (CSC) Steve Howard Allan Huffman (CSC) Nancy Hwang (CSC) Lara Reynolds (CSC)

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 3 Aerosols –Heterogeneous reaction probability (  N2O5 ) Re-derived parameterization based on Davis et al. (2008) –SOA Model Enhancements (presentation by S. Napelenok) Updates: isoprene SOA, sesquiterpene SOA, polymerization, acid-catalyzed SOA, NO x -dependent SOA yields, and enthalpy of vaporization (Edney et al., 2007) In-cloud SOA formation pathways (glyoxal, methylglyoxal) (Carlton et al., 2008) Changes in gas-phase chemistry mechanism, emissions speciation, and biogenic emissions model, to represent SOA precursors –Coarse PM (poster by J. Kelly and P. Bhave) Semi-volatile inorganic components (NO 3 -, Cl -, and NH 4 + ) can condense and evaporate from the coarse mode, via dynamic mass transfer Nonvolatile sulfate can condense on the coarse mode Variable standard deviation of coarse mode size distribution Emissions of sea salt from the surf zone Science Improvements for CMAQv4.7

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 4 Science Improvements for CMAQv4.7 (cont.) Chemistry –HONO enhancements (Sarwar et al., 2008) Heterogeneous reaction on aerosol and ground surfaces Emissions from mobile sources –Photolysis Options (beta versions) In-line photolysis rate module, with aerosol feedback (Binkowski et al., 2008) (poster by C. Nolte) Photolysis rates adjusted using satellite-derived cloud information (currently table-approach only) (Pour Biazar et al., 2008) –Aqueous Chemistry Added two organic oxidation reactions (glyoxal, methylglyoxal) (Carlton et al., 2008) Updates to Henry's Law constants based on literature review –Base CB05 mechanism with Cl 2 chemistry (Yarwood et al., 2005) –Multi-pollutant Capability Include HAPs and Hg in single modeling platform (presentation by W. Hutzell)

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 5 Science Improvements for CMAQv4.7 (cont.) In-line options –Dry Deposition Moved calculation into CCTM –Emissions (poster by J. Young) Integrated BEIS into CCTM Incorporated Plume-rise into CCTM –Bi-directional NH 3 and Hg surface flux (optional) For NH 3, fertilizer emissions will be applied through the flux model (under development) Emissions –Biogenic emissions: added sesquiterpene emissions –Speciation changes for HONO and benzene –Sea-salt emissions Updated flux parameterizations & surf zone emissions Used Spatial Allocator to produce ocean file

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 6 Science Improvements for CMAQv4.7 (cont.) Clouds –Convective cloud model Revised to reduce layer configuration differences Changed the integration timestep –Resolved cloud model Correction in precipitation flux calculation

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 7 Incremental Testing This release was incrementally tested for extended time periods –January & August 2006 –12 km eastern U.S. domain (nested from 36 km continental U.S. domain) –34 vertical layers (no layer collapsing) –Operational evaluation performed for each major science increment –Transition from MM5 to WRF (poster by W. Appel) All simulations presented here used WRF2.2 Benefits –Diagnostic evaluation: Documents the impact of each model change on performance Provides more detailed information regarding differences in results between model release versions –Provided QA/QC for model simulations, input data, and implementation

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 8 Incremental Simulations BASE: Modified version of CMAQv4.6 that included chlorine chemistry GAMMA N2O5: New parameterization for  N2O5 SOA: New SOA module HONO: Surface HONO reactions and HONO emissions COARSE MODE: Addition of Dynamic coarse mode CLOUDS: Revised convective and resolved cloud models CMAQv4.7: Final release version

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 9 Model Bias in SO CASTNET Weekly Observations January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 Sulfate model performance improved with cloud model revisions

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 10 Model Bias in NO CASTNET Weekly Observations January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 Base model used Evans and Jacob (2005) parameterization, that included a sign error

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 11 Model Bias in TNO CASTNET Weekly Observations January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 Again, base model used Evans and Jacob (2005) parameterization, that included a sign error

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 12 Model Bias in NH CASTNET Weekly Observations January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 13 Model Bias in OC --- IMPROVE Daily Observations January 2006 August 2006 Model value – Observed value (μg/m3) BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 Note: primary reason for decrease in OC is change in enthalpy of vaporization

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 14 Model Bias in TC --- STN Daily Observations January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 15 Model Bias in SO 4 Wet Deposition --- NADP Weekly Observations Model value – Observed value (kg/ha) January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 16 Model Bias in NO 3 Wet Deposition --- NADP Weekly Observations Model value – Observed value (kg/ha) January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 17 Model Bias in Cl Wet Deposition --- NADP Weekly Observations Model value – Observed value (kg/ha) January 2006 August 2006 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 BASEGAMMA N2O5 SOAHONO COARSE MODE CLOUDSCMAQ4.7 Model Bias improved with the addition of dynamic coarse mode

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 18 Model Bias in 8-hr. Max. O AQS Daily Observations BASE GAMMA N2O5 SOA HONO COARSE MODE CLOUDS Model value – Observed value (ppb)

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 19 Other Changes for CMAQv4.7 MCIPv3.4 required (soon to be released) Diagnostic Tools (will be released later this year) –Direct Decoupled Method (DDM) –Primary carbon source apportionment model –Sulfate tracking model Model options removed –Plume-in-grid –CB4 mechanisms –Aero3 module and AE3 mechanisms –RADM cloud module –Stand-alone mercury version of CMAQ (capability is included in the multipollutant version)

Office of Research and Development National Exposure Research Laboratory, Atmospheric Modeling Division 20 Model Development for Future CMAQ Releases Two-way Coupled WRF/CMAQ (presentations by J. Pleim and D. Wong) Chemistry –Alternative gas-phase chemical mechanisms (SAPRC-2007, RACM2) –Continued development of the inline photolysis module Aerosols –Speciation of fine soil, non-carbon organic matter –Source Apportionment of PM other –Influence of organics on γ N2O5 –Thermodynamics of crustal/soil species Clouds –Rosenbrock solver for aqueous chemistry –Grell convective cloud module Dry Deposition –Mosaic land-use approach –National Land Cover Data (NLCD)