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  SPECIATE 4.2 Speciation Database Development Documentation (EPA/600/R-09/038) June 2009

SPECIATE is the U.S. Environmental Protection Agency’s (EPA) repository of volatile organic gas and particulate matter (PM) speciation profiles of air pollution sources. Among the many uses of speciation data, these source profiles can be used to: (1) create speciated emissions inventories for regional haze, PM, greenhouse gas (GHG), and photochemical air quality modeling; (2) estimate hazardous and toxic air pollutant emissions from PM and organic gas primary emissions; (3) provide input to chemical mass balance (CMB) receptor model; and, (4) verify profiles derived from ambient measurements by multivariate receptor models (e.g., factor analysis and positive matrix factorization).

This report documents how EPA developed the SPECIATE 4.2 database that updates the prior version of the SPECIATE 4.0 database. (There was an interim database, SPECIATE 4.1, which incorporated data from Environment Canada to the SPECIATE 4.0 database.) In total, there were 408 volatile organic compound (VOC) profiles and 462 PM profiles appended to the SPECIATE 4.2 database. There was a change to the structure of the SPECIATE 4.2 database with the addition of the new category called Other Gases. This category contains speciated mercury, nitrogen oxides, and semivolatile organic compounds (SVOC) which do not fall into VOC and PM profiles categories. There were 237 Other Gases profiles incorporated into this version of the database. The SPECIATE 4.2 database includes a total of 5,187 PM, VOC, total organic gases (TOG), and Other Gases profiles. In addition, the report documents revisions to auxiliary data tables including the VOC-to-TOG conversion table and the source classification code (SCC)-to-SPECIATE profile cross-reference table. The SPECIATE 4.2 database also contains a new table titled “SVOC Splitting Factors” which provides suggested SVOC partitioning factors in PM and gaseous phases based on a Schauer et al. study (Schauer et al, 1999). Note that the partitioning factor of each SVOC species is not universal. It depends on sampling conditions (e.g., temperature and pressure).

SPECIATE 4.2 was developed by Pechan through a collaboration involving EPA’s Office of Research and Development (ORD) and Office of Air Quality Planning and Standards (OAQPS) at Research Triangle Park, NC, and Office of Transportation and Air Quality (OTAQ) at Ann Arbor, MI. This report first discusses the uses and structure of the SPECIATE 4.2 database in Sections I and II, respectively. Section III identifies the data sources and discusses the methods used to develop the new profiles not previously included in SPECIATE. Section IV provides important notes and comments on the use of the profiles, Section V briefly discusses source profile preparation methods, and Section VI provides the references for this report.


Lee Beck

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