These programs and files are useful for processing the EPS profiles for Texas using my speciation database system originally developed for Smoke.  See http://www.cert.ucr.edu/~carter/emitdb for a discussion of this system.

The files and examples discussed below are available at http://www.cert.ucr.edu/~carter/emitdb/TXfiles.zip, and are also discussed below. This also involved making changes and additions to the distributed speciation database programs at http:/www/cert.ucr.edu/~carter/emitdb/specpgms.zip.

Processing the data for the point sources required making speciation database assignments for the Texas "contaminant" codes, since, indicated in previous emails, many of these codes were improperly assigned in the present database. Although the total amount of mis-assigned mass is small (about 1.4% of the total mass in the point source profiles, if all profiles are weighted equally), I did not want to propagate these errors by supporting their continued use. I was able to assign most based on matching or comparing descriptions with those used for EPA or Texas Saroads that were already assigned, leaving only a few dozen that I had to get CAS numbers for using the ChemFinder.com web site. (I am told that the Texas database gives CAS numbers for these categories, but this information was not provided.)  These were then used to match with the CAS numbers in my database, allowing most of the categories to be assigned. (It is interesting to note that many of those assigned incorrect Saroad numbers actually had appropriate Saroad numbers that could have been used, contrary to the statements made in the reports.) These assignments were added to the speciation database file, and also included in a file given in the distribution, as indicated below.

A number of compounds and a few mixtures with in the "contaminate" list were not on my database, but none of those had significant emissions. Because of this and the amount of effort required to add compounds and mixtures to the database, I only added a few of the most important. The others were tentatively assigned as "unknown mass" for processing purposes. (This is a better approach than mis-assigning them, since it permits them to be assigned later without propagating errors.) The amount of unassigned mass involved is insignificant (~0.2% of the total mass in the point profiles, if all profiles are weighed equally).

Because of the large number of point source profiles, it is not practical to add these profiles to my profile database as separate files, as done with the Smoke profiles. Also, the "modified EPA" profiles used in the Texas EPS system had the exempts removed, and, because of this loss of information, they are also not appropriate to add to the profile database. Therefore, the ProfPro and SpecPro programs were modified to permit processing of groups of profiles whose composition information is all in one file, rather than in separate files as used for the Smoke profiles. In the case of ProfPro, it was easier to create two separate, specialized versions of the program for this purpose, as follows:

(1) The ProfProE program was used to convert the EPS input file prof.emscvt.modified_epa.pt (called ModEPA.EPS in the distributed files), which gives mass emissions of Saroad categories for the "modified EPA" profiles into a file containing mass emissions of the chemical compounds in the speciation database, called "MODEPA.SDB" that can be used as an input to a modified version of SpecPro. The command line for this program must give the input file name, output file name, and Saroad type, respectively, on the command line. (The Saroad type "TX" is appropriate for Saroads in the Texas database.)

(2) The ProfProE program could not be used for the point profiles because the Saroads are not properly assigned for these profiles. For those profiles, the procedure had to be to use the assignments to the "contam" codes for those components that have such codes, and use the Saroad assignments only for those for which a "contam" code is not given. The file point_profs.csv in the distributed Texas profile data gives both codes for each component, and therefore could be used as input for this purpose. The ProfProT program was written to use this procedure to produce a file containing the mass emissions of the compounds in the point profiles. In order for this program to properly read the input .csv file, it was necessary to convert point_profs.csv to a DOS-compatible ASCII file and change all the blanks in the species descriptions to "_"'s. This modified input file is called POINTPRO.CSV in the distributed files. The output file with the compounds in the point profiles produced by this program is called POINTPRO.SDB. The command line for this program must give the input file name and output file name. The Saroid types are fixed in the program to be those appropriate for these Texas profiles.

The SpecPro program was modified to permit input of profile compositions from these multi-profile .SDB files as an alternative to reading profiles from separate files as used in the standard version for Smoke. Except for using an "ALLPROF" option instead of "PROFLIST" to specify the profile list, the input to the program from the users perspective is unchanged. The distributed files include examples for processing both the modified EPA and the point profiles for the standard SAPRC-99 and CB4 mechanisms. If it is desired to process emissions for a mechanism with different explicit species, the modifications to the input files are the same as used previously.

The EmitSum and MechPro programs were not modified to be compatible with profiles in this format. However, these programs are not required for emissions processing.

Given below is a list of the files included in the distribution:

- Input files containing the profile composition data as mass emissions of Saroad or Contam. and Saroad categories from the existing Texas database (Input to ProfProE and ProfProT, respectively)

ModEPA.EPS
POINTPRO.CSV

- Profile compositions in terms of mass emissions of compounds using the speciation database categories, produced by ProfProE and ProfProT, respectively (required input for SpecPro).

MODEPA.SDB
pointpro.SDB

- Assignment data from the speciation database used by ProfProE and ProfProT to produce the profiles in terms of compounds.

TXSARID.DAT
TXCSARID.DAT
SpecAsn.DAT

- Input files for SpecPro to process respectively the "modified EPA" or point source profiles for the SAPRC-99 and Carbon Bond mechanisms. Note that running the programs for the point profiles will take a while, because of the large number of profiles.

S99MDE.IN
S99PNT.IN
CB4MDE.IN
CB4PNT.IN

- Mechanism assignments files used by SpecPro for SAPRC-99 or CB4 processing

S99LMS.DAT
S99Lasn.DAT
CB4MS.DAT
CB4asn.DAT

- Profiles used by Specpro to represent unknown and unassigned mass, respectively.

REPUNK-1.EMC
REPNOA-1.EMC

- Output files produced by SpecPro giving the model species assignments for the profiles for the "modified EPA" or point source profiles for the SAPRC-99 and Carbon Bond mechanisms, respectively. These are given in "CSV" format so they can be loaded into spreadsheets, and can be reformatted into the format used by the EPS system. (Although the format isn't exactly the same as that in example profile split files I have, it should be straightforward to convert these to the required format.)

S99MDESP.CSV
S99PNTSP.CSV
CB4MDESP.CSV
CB4PNTSP.CSV

- Diagnostic output files produced by SpecPro when running the above examples. See the documentation for the existing program.

S99MDE.CSV
S99PNT.CSV
CB4MDE.CSV
CB4PNT.CSV

- VOC to TOG factors produced by SpecPro when running the above examples. (Mechanism independent - only produced by the SAPRC-99 examples in this distribution.) Note that even though these are supposed to be "VOC" profiles, some of the profiles still have exempt compounds, so have factors different than one.

VOC2TOGS.DAT
VOC2TOGP.DAT

- Source files for ProfProE and ProfProT and a batch file to compile and link them (for g77).

STSUBS.FOR
PROFPROE.FOR
PROFPROT.FOR
BLDALL.BAT

- Executable files (the source for SpecPro is with the regular distribution).

SpecPro.exe
ProfProE.exe
ProfProT.exe

- Batch file to run ProfProE, ProfProT, and SpecPro with the above files and examples.

EXAMPLE.BAT

ContAsn.xls

I hope this is useful. Please contact me if there are problems or questions.

- Bill Carter