The speciation profile file, GSPRO, contains the factors that are used to separate aggregated inventory pollutant emissions totals into emissions of model species
required by the AQM. In traditional ozone air quality modeling, this file contained split factors only for VOC. In SMOKE,
all inventory pollutants need to be represented in this file, even if it is only to indicate that a pollutant is not split
into any model species (e.g., CO emissions would have a “split factor” of 1.0). The format of the GSPRO file is shown in Table 8.65, “Format for GSPRO”.
For support of combining criteria and toxic VOC using the NONHAPVOC calculation feature of SMOKE, the GSPRO file (starting in version 2.3 of SMOKE) includes a special header that defines the meaning of NONHAPVOC. This is the new #NHAP header, described below. This header keyword will be treated as a comment line by previous versions of SMOKE. The header lines define NONHAPVOC (and/or NONHAPTOG) by listing all of the VOC compounds that were assumed to be removed from VOC (or TOG) when the speciation profile factors for NONHAPVOC (or NONHAPTOG) were calculated. When using this file, Spcmat compares this list with the list from the Inventory Table ("VOC or TOG Component" field = V or T and "Explicit in Mechanism = "N"). This new header is included in this file so that the file is self-describing with respect to the definition of NONHAPVOC and NONHAPTOG.
The format supports header lines (using a # symbol in position 1 of any line) in any part of the file.
Table 8.65. Format for GSPRO
| Line | Position | Description (all fields are required) |
|---|---|---|
| 1+ | A | #NHAP (optional header lines to be included only for NONHAPVOC processing approach in SMOKE. Skip to Line 2 for all other cases) |
| B | Pollutant name (either NONHAPVOC or NONHAPTOG) | |
| C | Toxics name of compound(s) subtracted from VOC or TOG to calculate NONHAPVOC or NONHAPTOG (must match "Inventory Data Name"
column from Inventory Table (INVTABLE)
|
|
| 2+ | A | Speciation profile number (Character) |
| B | Pollutant ID (name) (Character) | |
| C | Species ID (name) (Character) | |
| D | Split factor (Real) | |
| E | Divisor (Real) | |
| F | Mass Fraction (Real) |
The columns are used by SMOKE as follows:
The speciation profile number is matched with the number in the GSREF file. This “number” is treated as a character string, so leading zeros must be the same in both the GSPRO and GSREF files. For BEIS3 modeling, you must use profile “BV309” in order to properly speciate for CB-IV modeling. There are also BEIS3 speciation profiles for the RADM2 and SAPRC99 chemical
mechanisms in the $GE_DAT
The pollutant ID must match the pollutant names in the SMOKE inventory file (AREA, MOBL, or PNTS). These names are set by the #POLID or #DATA headers in the Smkinven input files.
The species IDs are the names of the model species needed by the AQM for which SMOKE is being used. These depend on the requirements of that model. The example SMOKE inputs will not be correct for all AQMs.
The split factor is the numerator in the factor computed for the mole-based speciation matrix.
The divisor is the denominator in the factor computed for the mole-based speciation matrix.
The mass fraction is the value put in the mass-based speciation matrix. The ratio of the mass fraction and the split factor is the average molecular weight for the species and profile, if the divisor is 1.