17 January 2008 A. Introduction -------------------------------------------------------------------------------------- This readme file documents the SMOKE scripts used for the following components of EPA's 2002-based platform. 2002v3CAP - CAP-only platform - scripts named with CASE = 2002ac and 2002cc 2002v3CAPHAP - CAP & HAP platform - scripts named with CASE = 2002ac_tox2 Since OAQPS has not run a CAP-Hg only case, there are no scripts that are specifically for the 2002v3HG (mercury) platform posted on EPA's Emissions Modeling Clearinghouse. OAQPS ran the mercury species along with the toxics species. For modelers who want a CAP-Hg only inventory, we suggest that you start with the CAPHAP scripts (2002ac_tox2) and take the following steps to adapt the scripts: - Set Keep = N to all non-Hg pollutants in the Inventory Table (INVTABLE) file - Create Smkinven input "list" files with only the CAP and Hg files, not all of the complete HAP files that also contain the Hg. - Change the value of the SMK_NHAPEXCLUDE_YN setting in the scripts from Y to N for any scripts that have this set to Y. The full documentation on this platform will be provided in a report, which is not available as of 1/17/2008. The Emissions Modeling Clearinghouse homepage will contain a link to this report via the 2002v3CAP and 2002v3CAPHAP "Documentation" links when it is available. B. Version of SMOKE used and notes on Assigns and Scripts -------------------------------------------------------------------------------------- The 2002-based platforms were processed using a preliminary version of SMOKE 2.3.2. We have made every attempt to ensure that SMOKE 2.3.2 can process the 2002 v3 National Emissions Inventory (NEI) using the scripts provided here. The Assigns files and SMOKE scripts provided here represent EPA's latest approaches to processing the NEI for use in 36-km and 12-km modeling at EPA. The Assigns files and scripts use a different (and we think much improved) directory structure for inputs, intermediate, and output files. This structure was designed with the following in mind: a) Having multiple SMOKE installations/platforms using the same inventory data. This is accomplished in part with the new "platform" variable in the Assigns file. b) Consolidating ALL ancillary files into a GE_DAT directory. There are no longer ancillary data included in the inventory input directories (such as the MCODES and REPCONFIG files). Note that the REPCONFIG files are in a subdirectory of GE_DAT. c) Simplified approach for standard reports, which greatly simplifies the qa_run_v3.csh script from prior versions. The basic assumption of this new approach is that each distinct type of report (e.g. State/SCC) has its own REPORT environment variable (e.g., REPORT2) which is held constant across all sectors. Any new report can be added to the standard reports REPCONFIG files by adding a new report number to the qa_run_v3.csh and then adding that same report number to the appropriate REPCONFIG files. d) Simplified intermediate file directory structure. All intermediate files for a given sector now go to the new sector-specific INTERMED directory. e) Integrating the concept of sectors into the scripting approach by introducing the new SECTOR environment variable. Errata for Assigns/Scripts ------- - For the ptipm sector, we did not actually use the helper script called smk_run_v2.csh. We used a different approach that ran CEMSCAN in a script with a different name. However, the released smk_run_v2.csh script will yield the same results as what we ran. C. Notes and current known omissions -------------------------------------------------------------------------------------- 1) We have not posted SMOKE output Canadian 2000 point source emissions processed with 2002 meteorology . Only the SMOKE output data processed with the 2001 meteorology have been posted at this time. The data processed with 2002 meteorology are available by request, and we may post these on CHIEF at a later date. 2) We have not posted SMOKE output biogenics emissions from BEIS3.13 or the biogenic scripts. Users will need to generate their own biogenic emissions using the data files provided (land use and emissions factors have been provided with the platform). 3) For the CAP/HAP platform, our HGNRVA dataset for natural, re-emissions, volcano, and anthropogenic elemental mercury (HG) emissions is not yet available. The data and scripts to create the anthropogenic portion of this dataset have been released with the platform because they are part of the emissions inputs in the 2002 NEI (or for Canada, were previously available as inputs used in the CAMR Hg modeling). This decision may be revisited at a later date. Instructions for handling the natural, re-emissions, and volcano emissions are available on the CMAS website at: http://www.cmascenter.org/help/model_docs/cmaq/4.6/MERCURY_NOTES.txt As of 1/17/2008, these notes had not been updated with the necessary information. Please contact Russ Bullock at EPA for more information. 4) For the CAP/HAP platform, our oceans Chlorine file has not yet been posted. We plan to post this at a later date. It is available upon request. D. Case descriptions -------------------------------------------------------------------------------------- 2002v3CAP --------- The 2002v3CAP platform includes the following components: 2002ac - 2002 model performance evaluation run 2002cc - 2002 basecase, used for comparison with future-year cases. This run differs from 2002ac in that an average-year approach is used for the wildfires and prescribed burning and for the EGU temporal allocation. As of 1/17/2008, the Speciation files in with this platform only produce organic carbon named as POC. This is different from previously released speciation profiles, which used the name POA. In previously speciation profiles, we had applied a 20% increase in the OC fraction of total PM2.5 (and a cooresponding decrease in the PMFINE fraction), which is no longer being applied. To help us remember the difference between the old and new organic carbon species meanings, we have changed the name from POA to POC. CMAQ 4.6 is the current CMAQ release, and it imports a species named POA. EPA has been using an internal release of CMAQ (4.6.1i_L3b) that uses the POC species name. However, there is no difference between what CMAQ does internally with POA in the released version and in internal version. Therefore, to use the currently available SMOKE GSPRO file (creating POC), emissions modelers need only substitute the name POA for POC in the files. The air quality modeling post-processing must also be adjusted to account for the changed meaning of the species, and apply all adjustments to the CMAQ output organic carbon that may be needed for comparison to monitored PM values. The CMAQ post-processing should no longer assume a 20% organic carbon adjustment has been made in the emissions. 2002v3CAPHAP ------------ The 2002v3CAPHAP platform currently only include the 2002ac_tox2 case. The 2002 basecase and future year runs for this platform are not currently planned as of 1/17/2008 The platform that is released as of 1/17/2008 supports CMAQ version 4.6.1i_L3th, which is an internal release of a multiplpollutant CMAQ model for EPA evaluation. This released version supports both toxics and mercury. The version differs from the currently released version of CMAQ (version 4.6) with toxics in that many of the toxic pollutant names in the CMAQ release are different from those that our platform currently supports. These differences can be found by comparing the species names of the two versions as described in the Excel file "CMAQ_species_released_vs_internal.xls". At this time, the 2002v3CAPHAP platform supports only version 4.6.1i_L3th of the CMAQ model species names. OAQPS intends to post other files that will support version 4.6 of CMAQ. This will affect the INVTABLE, GSREF, and GSPRO files. Until additional versions of these files are posted by EPA, emissions modelers can use the spreadsheet "CMAQ_species_released_vs_internal.xls" to manually modify the files provided. E. Directory structure included in .zip file -------------------------------------------------------------------------------------- v3/assigns Contains Assigns files and helper scripts for the main run scripts v3/scripts/run Contains latest SMOKE helper scripts, needed by main scripts v3/scripts/2002ac Contains all scripts for 2002ac 36-km domain v3/scripts/2002ac_tox2 Contains all additional scripts for 2002ac_tox2 36-km domain (some are "2002ac_tox") v3/scripts/2002cc Contains all additional scripts for 2002cc 36-km domain Also, each case-specific directory contains a "merge" subdirectory: v3/scripts//merge Contains final merge script to combine components into CMAQ input where is 2002ac, 2002ac_tox2, or 2002cc F. Sector descriptions (all cases) -------------------------------------------------------------------------------------- NAME NEI SECTOR DESCRIPTION ---- ---------- ----------- nonpt Nonpoint All nonpoint sources not otherwise included in other SMOKE sectors. Similar to 2001 platform sector "oarea", except it contains agricultural burning and open burning. ag Nonpoint Livestock and fertilizer NH3 afdust Nonpoint Fugitive dust sources from the NEI nonpoint inventory (e.g., building construction, road construction, paved roads, unpaved roads, ag dust, All of the 2325xxxxxx, which is mining). Does NOT include fugitive dust from grain elevators because these are elevated sources. nonptfire Fires Prescribed burning in Georgia summed into annual, county-level emissions. These emissions did not have the underlying data to include them as day-specific, fire-specific emissions. Also includes some other Rx burning SCCs from the NEI nonpoint inventory. ptfire Fires Point source fire inventory - contains wildfires and Rx burning - daily resolution. SMOKE will compute plume rise given fuel load (tons/acre) and acres burned. ptipm Point EGU processes at Facilities mapped to the IPM model using the NEEDS database. In the 2002 NEI, a flag was put into the NEI to tag at the unit level where needed, but mostly at the facility level. Hourly files for CEM, day-specific file for non-CEM created by using CEM data to go from annual to month and then month to day. In the future years, this sector is provided by the IPM3.0 model. ptnonipm Point All NEI point source records not mapped to the ptipm sector, plus processes that are nonEGU at the IPM facilities onroad Onroad mobile Onroad mobile emissions with monthly temporal resolution. State submitted emissions, only from California, are temporally allocated to monthly emissions using NMIM. nonroad Nonroad mobile Nonroad emissions associated with the NONROAD Model's SCCs. Monthly temporal resolution, use of NONROAD2005 (via NMIM runs done by OTAQ) for all except CA. For California, we used annual state-supplied emissions were used from the OFFROAD model for the pollutants submitted. We used the monthly NMIM results to assign the CA emissions to months, either by creating monthly files for CAPs or using monthly profiles for HAPs. alm Nonroad mobile Aircraft, locomotive, commercial marine. Annual resolution. biog N/A BEIS3.13. This sector is not created by the NEI but rather is created by SMOKE. othpt N/A Offshore, 2000 Canada point EGUs & NonEGUs, and 1999 Mexico point inventories. The Canadian inputs for this sector are not available for release because of Canadian inventory policies. othpt_hg N/A (2002ac_tox2 only) Canada point source Hg emissions for 2000. These are the same emissions previously used with the 2001-based Platform for the Clean Air Interstate Rule (CAMR) Hg modeling. othar N/A Canada 2000 nonroad and area (nonpoint) by Province, and Mexico 1999 nonroad and area (nonpoint) by Municipio. othar_hg N/A (2002ac_tox2 only) Canada area source (nonpoit) Hg emissions for 2000. These are the same emissions previously used with the 2001-based Platform for CAMR. othon N/A Canada 2000 onroad mobile by Province and Mexico 1999 onroad mobile by Municipio. avefire Fires In the future years, this sector replaces the nonptfire and ptfire sectors. It includes average-year wildfires and prescribed burning fires developed for the 2001-based platform. It differs from the 2001-based platform in that (a) only wildfires and prescribed burning are included (b) ag burning and open burning are not included, and (c) emissions in some states for some SCCs were removed if those state/SCC combinations were not included in the 2002 NEI. G. Script descriptions (in alphebetical order) -------------------------------------------------------------------------------------- Notes: 1) MWDSS = Monday, Weekday, Saturday, Sunday 2) Dates run are set by script run/set_days_v3.csh 3) Holidays include the holiday and the day after 2002v3CAP Platform ------------------- /2002ac: (model performance evaluation case) SCRIPT NAME RUNS FOR SECTOR TEMPORAL RESOLUTION SMKMERGE RESOLUTION ----------- --------------- ------------------- ------------------- smk_afdust_2002ac.csh afdust One per month One per month smk_ag_2002ac.csh ag One per month One per month smk_alm_2002ac.csh alm MWDSS MWDSS smk_nonpt_2002ac.csh nonpt MWDSS + Holidays MWDSS + Holidays smk_nonptfire_2002ac.csh nonptfire One per month One per month smk_nonroad_2002ac.csh nonroad MWDSS + Holidays MWDSS + Holidays smk_onroad_2002ac.csh onroad Mon-Sun + Holidays Mon-Sun + Holidays smk_othar_2002ac.csh othar MWDSS MWDSS smk_othon_2002ac.csh othon MWDSS MWDSS smk_othpt_2002ac.csh othpt MWDSS All days (for plume rise) smk_ptfire_2002ac.csh ptfire All days All days smk_ptipm_2002ac.csh ptipm All days All days smk_ptnonipm_2002ac.csh ptnonipm MWDSS + Holidays All days (for plume rise) /2002ac/merge: merge/smk_mrggrid_2002ac_36km.csh: This script combines the Smkmerge outputs from all of the sector-specific scripts listed above. It reuses the appropriate days of data for each sector for the sectors with representative Smkmerge days (all sectors except othpt, ptfire, ptipm, and ptnonipm). /2002cc: (2002 baseline for comparison to future-year runs) SCRIPT NAME RUNS FOR SECTOR TEMPORAL RESOLUTION SMKMERGE RESOLUTION ----------- --------------- ------------------- ------------------- smk_avefire_2002cc.csh avefire One per month One per month smk_ptipm_2002cc.csh ptipm All days All days More details on the avefire sector and on the 2002cc ptipm temporal allocation approach will be provided in the documentation planned for the platform mentioned in the Introduction). 2002cc/merge: smk_mrggrid_2002cc_36km.csh: This script combines all of the sectors in the 2002ac case, with the following exceptions: a) The "avefire" sector from 2002cc is used instead of the ptfire sector b) The "ptipm" sector from 2002cc is used instead of that sector from 2002ac mrgdates_2002: This folder contains the month-specific list of dates/sectors to use by the merge script. The script is not configured to use this location, but can be modified to use the files in this folder. 2002v3CAPHAP Platform --------------------- 2002ac_tox2: (CAP/HAP model performance evaluation case) These scripts include BOTH criteria and toxics emissions processing. These scripts used a combination of "tox" and "tox2" scripts, collectively labeled as the 2002ac_tox2 case. This happened because some sectors needed a rerun, which was called tox2. The scripts below therefore use a combination of 2002ac_tox and 2002ac_tox2 in the name, and in the Assigns file used. We have provided the sectors as we ran them so that the final merge script will work. Users are welcome to change all instances of "tox2" to "tox" or vice-versa for their convenience in keeping everything as a single case. Users who use the scripts as-is will have sector-specific results spread out over two cases. SCRIPT NAME RUNS FOR SECTOR TEMPORAL RESOLUTION SMKMERGE RESOLUTION ----------- --------------- ------------------- ------------------- smk_alm_2002ac_tox2.csh alm Consisent with 2002ac Consisent with 2002ac smk_nonpt_2002ac_tox2.csh nonpt " " smk_nonptfire_2002ac_tox2.csh nonptfire " " smk_nonroad_2002ac_tox2.csh nonroad " " smk_onroad_2002ac_tox2.csh onroad " " smk_othar_hg_2002ac_tox.csh othar_hg ---- Consisent w/2002ac "othar" -------- smk_othpt_hg_2002ac_tox.csh othpt_hg ---- Consisent w/2002ac "othpt" -------- smk_ptfire_2002ac_tox.csh ptfire Consisent with 2002ac Consisent with 2002ac smk_ptipm_2002ac_tox.csh ptipm " " smk_ptnonipm_2002ac_tox2.csh ptnonipm " " 2002ac_tox2/merge: smk_mrggrid_2002ac_tox2_36km.csh: This script combines the Smkmerge outputs from all of the sector-specific scripts listed above. It reuses the appropriate days of data for each sector for the sectors with representative Smkmerge days (all sectors except othpt, ptfire, ptipm, and ptnonipm). In addition, it uses emissions files from the 2002ac case for the following sectors: a) afdust b) ag c) othar d) othpt e) othon