1 Supplemental Information For 2 3 Toward verifying fossil fuel CO2 emissions with the Community Multi-scale Air 4 Quality (CMAQ) model: motivation, model description and initial simulation 5 Zhen Liu1 Ray P. Bambha1 Joseph Pinto2 Tao Zeng3 Jim Boylan3 Maoyi Huang4, Huimin 6 Lei4,5, Chun Zhao4, Shishi Liu6, Jiafu Mao6, Christopher R. Schwalm7 Xiaoying Shi6, 7 Yaxing Wei6, Cosmin Safta1 and Hope A. Michelsen1 8 9 1 Combustion Research Facility, Sandia National Laboratories, Livermore, CA, USA 2 10 3 11 12 4 Georgia Department of Natural Resources, Atlanta, GA, USA Atmospheric Sciences and Global Change Division, Pacific Northwest National 13 Laboratory, Richland, WA, USA 5 14 17 Department of Hydraulic Engineering, Tsinghua University, Beijing, China 6 15 16 US EPA, Research Triangle Park, NC, USA 7 Oakridge National Laboratory, Oak Ridge, TN, USA School of Earth Sciences and Environmental Sustainability, Northern Arizona University, Flagstaff, AZ, USA 18 19 Manuscript for submission to 20 21 The Journal of the Air & Waste Management Association 22 A special section for the CMAS-2012 conference 23 24 zheliu@sandia.gov; rpbambh@sandia.gov; hamiche@sandia.gov 1 25 26 Detailed Descriptions of NEE From the Community Land Model (CLM4VIC) Simulation 27 Under MsTMIP, CLM4VIC was configured and run following the protocol 28 described in Huntzinger et al. (2013), with driver datasets provided by MsTMIP as 29 described in Wei et al. (2013). The CLM4VIC-based NEE used in this study was from 30 the baseline global simulation (i.e., BG1 simulation), in which the model was driven by a 31 110 year (1901 - 2010) atmospheric forcing dataset, with annual variations in 32 atmospheric nitrogen deposition, CO2 concentration, and land-use change. The carbon- 33 nitrogen biogeochemistry in the model was turned on, allowing for simulating vegetation 34 dynamics in response to a changing environment, including prognostic estimates of 35 emissions due to wild fires under appropriate environmental conditions. For a detailed 36 description of the configuration and model setup of CLM4VIC simulations from 37 MsTMIP, interested readers are referred to Huntzinger et al. (2013). 38 39 40 41 REFERENCES 42 Wei, Y., Liu, S., Post, W.M., Viovy, N., Schwalm, C., Schaefer, K., Jacobson, A., Lu, C., 43 Cook, R.B., Michalak, A.M., Ricciuto, D.M., and Huntzinger, D., The North American 44 Carbon Program (NACP) Multi-Scale Synthesis and Terrestrial Model Intercomparison 45 (MsTMIP) Project: Environmental Driver Data. In prep. 46 Huntzinger, D.N., et al., The North American Carbon Program (NACP) Multi-scale 47 Synthesis and Terrestrial Model Intercomparison Project (MsTMIP): Part I – Overview 48 and Experimental Design. Journal of Geoscientific Model Development, In prep. 2 49 50 Table S1. Configurations of WRF and CMAQ WRF Microphysics Cumulus Surface Radiation (longwave and shortwave) Others Morrison Kain-Fritsch Pleim-Xiu RRTMG vertical velocity damping; 6th-order diffusion For more details in the WRF simulation, including model setup and evaluation against observations, see the SEMAP project report for WRF http://sesarm.aer.com/static/pages/v0.9/SESARMFinal-Report-20111219.pdf CMAQ Gas phase chemistry Aerosols Cloud Vertical diffusion Horizontal diffusion Vertical advection Horizontal advection Dry deposition Emissions Carbon Bond 05 (CB05) with updated toluene chemistry 5th-generation modal CMAQ aerosol model (AERO5) Asymmetric Convective Method (ACM) ACM2 multiscale scheme based on local wind deformation WRF Yamo In-line for non-CO2 species Anthropogenic emissions: SESARM regional inventory (2007) for SESARM states; NEI 2005 v5 for non-SESARM states Fire: SESARM regional inventory and Blue Sky inventory for non-SESARM states biogenic: BEIS3 For more details, see the SouthEastern Modeling, Analysis and Planning (SEMAP) modeling protocol (http://airqualitymodeling.org/semapwiki/index.php?tit le=SEMAP_Modeling_Protocol; accessed January 14, 2013) 51 3 52 53 Table S2. Information of the six NOAA ESRL/GMD tall-tower sites used in this work. Tower Location Argyle, Maine (AMT) Boulder Atmospheric Observatory (BAO) Park Falls, Wisconsin (LEF) West Branch, Iowa (WBI) Walnut Grove, California (WGC) Waco Killeen, Texas (WKT) 45.03°N 68.68°W 40.05°N 105.01°W 45.95°N 90.27°W 41.73°N 91.35°W 38.27°N 121.49°W 31.32°N 97.33°W Elevation (meters above sea level) 50 1584 472 242 0 251 Intake height (meters above ground) 107 300 122 99 483 457 54 55 4 56 57 58 59 60 Figure S1. Hourly time series and average diurnal cycle of CO2 observed and simulated at BAO. For the time series, model root mean square error (RMSE), correlation coefficient (R), model mean bias (meanmodel – meanobservation), and ratio of standard deviations (stddevmodel/stddevobservation) are shown for both CMAQ and CT2011 after aggregating CMAQ hourly outputs to 3-hourly time series (to match the time resolution of CT2011). 5 61 62 Figure S2. Same as Figure S1, but for WKT. 6 63 64 Figure S3. Same as Figure S1, but for WGC. 7 65 66 Figure S4. Same as Figure S1, but for WBI. 8 67 68 Figure S5. Same as Figure S1, but for LEF. 9 69 70 Figure S6. Same as Figure S1, but for AMT. 10