VOC (ppbC) CAMx Ozone Particulates Toxics

1 camx User s Guide Version User s Guide COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSIONS Version ENVIRON International Corporation 773 San Marin Drive, Suite 2115 Novato, California, 94945 P-415-899-0700 F-415-899-0707 April 2014 0200400600800100002040608010004080120160 200240 MaximumOzone (ppb)InitialVOC (ppbC)InitialNOx (ppb)StackCAMx Ozone Particulates Toxics April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION Copyright: ENVIRON International Corporation, 1997 2014 This publication may be reproduced for non-commercial purposes with appropriate attribution. April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION i ACKNOWLEDGMENTS ENVIRON acknowledges the following groups for their contributions to the development of camx : The Texas Commission on Environmental Quality (TCEQ), for sponsoring the development, testing, and review of numerous components of the model; The Lake Michigan Air Directors Consortium (LADCo), for sponsoring the development, testing and review of numerous components of the model; The Coordinating Research Council (CRC), for sponsoring the development, testing, and review of numerous components of the model; The Carnegie-Mellon University, Department of Chemical Engineering, for providing full-science PM algorithms, assistance in incorporating them into camx , and testing the implementation.

2 The University of Texas, Center for Energy and Environmental Resources, for assistance in developing and testing the Open-MP multi-processor capability; Atmospheric, Meteorological, and Environmental Technologies (ATMET), for providing libraries and implementation support for the MPI parallel processing capability; The Midwest Ozone Group (MOG), for sponsoring the development and testing of the MPI parallel processing capability; The Environmental Protection Agency (EPA), for sponsoring the development, testing, and review of the MPI parallel processing capability and numerous other components of the model. Special thanks to Dr. Jon Pleim for assistance with our implementation of ACM2; The San Francisco Bay Area Air Quality Management District (BAAQMD), for supporting and testing the coupling of SAPRC99 gas-phase chemistry to the PM chemistry algorithm; The American Petroleum Institute (API), for sponsoring the development and testing of improvements to the vertical advection algorithm; Atmospheric and Environmental Research (AER), for developing the mercury chemistry algorithm.

3 April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION ii CONTENTS ACKNOWLEDGMENTS .. I 1. OVERVIEW ..1 camx FEATURES ..2 camx EXTENSIONS AND PROBING TOOLS ..4 UPDATES IN camx VERSION ..4 2. THE camx MODELING SYSTEM ..6 camx PROGRAM STRUCTURE ..7 Memory Management .. 8 Parallel Processing .. 9 COMPILING camx .. 10 A Note on Fortan Binary Input/Output Files .. 11 RUNNING camx .. 12 Control File Namelist Input .. 12 Using Scripts to Run camx .. 20 BENCHMARKING MODEL RUN TIMES .. 24 camx PRE- AND POST-PROCESSORS .. 25 Emissions .. 25 Meteorology .. 26 Photolysis Rates .. 27 Air Quality .. 28 Landuse .. 28 Post-processors .. 29 3. CORE MODEL INPUT/OUTPUT STRUCTURES .. 30 camx CHEMISTRY PARAMETERS FILE .. 31 PHOTOLYSIS RATES FILE .. 39 Ozone COLUMN FILE .. 41 FORTRAN BINARY INPUT/OUTPUT FILES.

4 44 What is a Fortran Binary File? .. 44 camx Binary File Headers .. 45 Input Files .. 46 Output Files .. 58 4. CORE MODEL FORMULATION .. 63 NUMERICAL APPROACH .. 63 camx GRID CONFIGURATION .. 65 Grid Cell Arrangement .. 65 Grid Nesting .. 66 Flexi-Nesting .. 68 TREATMENT OF EMISSIONS .. 68 Gridded Emissions .. 69 Elevated Point Emissions .. 69 THREE-DIMENSIONAL TRANSPORT .. 73 Fundamentals .. 73 Transport Algorithms .. 75 April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION iii ACM2 Vertical Diffusion .. 76 WET DEPOSITION .. 78 Precipitation Parameters .. 80 Gas Scavenging .. 81 Aerosol Scavenging .. 84 DRY DEPOSITION .. 85 The Wesely/Slinn 86 The Zhang Model .. 90 SURFACE MODEL FOR CHEMISTRY AND RE-EMISSION .. 95 Surface Model Algorithms .. 95 Running camx With the Surface Model.

5 99 5. CHEMISTRY MECHANISMS .. 100 GAS-PHASE CHEMISTRY .. 101 Carbon Bond 2005 .. 101 Carbon Bond Version 6 .. 101 Carbon Bond Version 6 with Iodine Chemistry .. 102 Carbon Bond Version 6, Revision 2 .. 103 SAPRC 1999 .. 103 Implicit Gas-Phase Species .. 103 Photolysis Rates .. 104 Gas-Phase Chemistry Solvers .. 108 Chemical Mechanism Compiler .. 109 AEROSOL CHEMISTRY .. 110 Additional Gas-Phase Species .. 110 Aerosol Processes .. 112 Aerosol Sectional Approach .. 113 MERCURY CHEMISTRY .. 115 Gas-Phase Chemistry .. 116 Adsorption of Hg(II) on PM .. 117 Aqueous-Phase Chemistry .. 118 Implementation Approach .. 119 Chemistry Parameters for Mercury .. 120 SIMPLE CHEMISTRY VIA MECHANISM 10 .. 121 6. PLUME-IN-GRID SUBMODEL .. 123 camx PIG FORMULATION .. 124 Basic Puff Structure and Diffusive Growth .. 124 Puff Transport.

6 128 GREASD PIG .. 129 PARTICULATE MATTER IN 132 IRON PIG .. 132 PIG FEATURES .. 133 Puff Layer Spanning (IRON and GREASD) .. 133 Puff Overlap and the Idea of Virtual Dumping (IRON only) .. 133 Multiple Puff Reactors (IRON only) .. 134 Puff Dumping (IRON and GREASD) .. 135 PiG Rendering (IRON and GREASD) .. 135 High Resolution Puff Sampling (IRON and GREASD) .. 136 DEPOSITION .. 136 Dry Deposition .. 137 Wet Deposition .. 138 April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION iv PIG CONFIGURATION .. 139 Guidance on the Use of camx PiG .. 140 7. Ozone SOURCE APPORTIONMENT TECHNOLOGY .. 144 INTRODUCTION .. 144 OSAT FORMULATION .. 148 Mass Consistency with camx .. 149 Emissions .. 149 150 Transport and Diffusion .. 150 Chemical Change .. 151 Alternative Chemical Apportionment Techniques.

7 160 RUNNING camx WITH OSAT .. 163 camx Control File .. 163 Specifying Emission Groups .. 164 INPUT FILE FORMATS .. 170 Source Area Mapping .. 170 Receptor Definition .. 170 OUTPUT FILE FORMATS .. 172 Tracer Species Names .. 173 Receptor Concentration File .. 173 POSTPROCESSING .. 175 STEPS IN DEVELOPING INPUTS AND RUNNING OSAT .. 175 8. PARTICULATE SOURCE APPORTIONMENT TECHNOLOGY .. 177 PSAT METHODOLOGY .. 178 RUNNING camx WITH PSAT .. 181 camx Control File .. 181 STEPS IN DEVELOPING INPUTS AND RUNNING PSAT .. 184 9. DECOUPLED DIRECT METHOD FOR SENSITIVITY ANALYSIS .. 186 IMPLEMENTATION .. 187 Tracking Sensitivity Coefficients Within 190 Flexi-DDM .. 191 RUNNING camx WITH DDM AND HDDM .. 191 APPROACHES TO DEFINE IC, BC AND EMISSIONS SENSITIVITIES .. 196 DDM OUTPUT FILES .. 196 DDM SENSITIVITY COEFFICIENT NAMES .. 197 Initial Condition Sensitivity Names.

8 198 STEPS IN DEVELOPING INPUTS AND RUNNING DDM .. 201 10. PROCESS ANALYSIS .. 203 PROCESS ANALYSIS IN camx .. 203 Integrated Process Rate Analysis .. 204 Integrated Reaction Rate Analysis .. 205 Chemical Process Analysis .. 205 RUNNING PROCESS ANALYSIS .. 208 Setting camx 210 Output File Formats .. 211 POSTPROCESSING .. 211 April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION v IPR Output Files .. 211 IRR Output Files .. 212 CPA Output Files .. 216 11. REACTIVE TRACERS .. 217 DESCRIPTION OF RTRAC .. 217 RTRAC Gas-Phase Chemistry .. 220 RTRAC Source-Receptor Relationships and Double 222 DESCRIPTION OF RTCMC .. 223 RTCMC Gas-Phase Chemistry .. 223 REACTIVE TRACERS IN IRON PIG .. 230 Integration of RTRAC Puff Sampling .. 232 RUNNING camx WITH REACTIVE TRACERS .. 232 camx Control File.

9 232 User Adjustable Parameters .. 235 12. REFERENCES .. 236 APPENDIX A .. 248 camx MECHANISM 2 .. 248 CB6R2 GAS-PHASE CHEMISTRY .. 248 APPENDIX B .. 259 camx MECHANISM 7 .. 259 CB6 GAS-PHASE CHEMISTRY .. 259 APPENDIX C .. 270 camx MECHANISM 1 .. 270 CB6 WITH IODINE CHEMISTRY .. 270 References .. 273 APPENDIX D .. 274 camx MECHANISM 6 .. 274 CB05 GAS-PHASE CHEMISTRY .. 274 APPENDIX E .. 281 camx MECHANISM 5 .. 281 SAPRC99 GAS-PHASE CHEMISTRY .. 281 TABLES Table 2-1. Parameters and their defaults in used to statically dimension local arrays in low-level subroutines..8 Table 2-2. camx output file suffixes and their corresponding file types..20 Table 2-3. camx speed performance with MPI and OMP for the distribution test case available at (processed on Ghz Intel Xeon chipsets)..24 April 2014 camx User s Guide Version COMPREHENSIVE AIR QUALITY MODEL WITH EXTENSION vi Table 2-4.

10 camx speed performance with MPI and OMP for the EPA/OAQPS test case (processed on Ghz Intel Xeon chipsets)..25 Table 3-1. Data requirements of camx ..30 Table 3-2. Description of the camx chemistry parameters file. The record labels exist in columns 1-20, and where given, the input data for that record start in column 21. The format denoted list indicates a free-format list of numbers (comma or space-delimited)..32 Table 3-3a. Rate constant expression types supported in camx and order of expression parameters for the chemistry parameters file..40 Table 3-3b. List of parameters that must be provided in the camx chemistry parameter file for each of the seven types of rate constant expressions. Use ppm/minute units for A and Kelvin for Ea and TR. The variable O is the order of the reaction (1 to 3)..41 Table 3-4. The 11 WESELY89 landuse categories, their default UV surface albedos, and their surface roughness values (m) by season.