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A STUDY OF SOURCE ATTRIBUTION OF UNSATURATED …不饱和源的归因的研究…
STUDY OF SOURCE ATTRIBUTION OF UNSATURATED HYDROCARBONS FOR OZONE PRODUCTION IN THE HOUSTON-GALVESTON AREA WITH THE EXTENDED SAPRC99 CHEMICAL MECHANISM Beata Czader Daewon W. Byun Department of Chemistry Institute for Multidimensional Air Quality Studies (IMAQS) Motivation OBJECTIVES SAPRC99 and SAPRC99ext emission lumping Reactions implemented in the SAPRC99ext mechanism Modeling Data and Methodology The comparison of emissions for SAPRC-99 and SAPRC-99 extended Emission rates with SAPRC99 and SAPRC99ext Process Analysis results with SAPRC99ext CMAQ simulation results for ozone Comparison of simulation results with observed data (at the surface) Williams Tower Clinton Preliminary Conclusions * Propylene (Ton/Day) The metropolitan area of Houston is home tothe largest grouping of petrochemical industrial plants in the United States. 27.6 billion pounds of ethylene produced – 52% of national capacity 10.9 billion pounds of propylene produced – 63% of national capacity TexAQS 2000 demonstrated the importance of HRVOC for ozone formation especially ethylene, propylene, 1,3-butadiene, and other butenes Improve the resolution of the chemical mechanism – SAPRC99ext mechanism Develop emission processing scheme for SAPRC99ext Study the relationship between measured formaldehyde spikes and alkene emissions Study the differences in reactivity obtained with different chemical mechanisms Compare AQM simulations based on different emissions inventories APPROACH Speciation profiles SAPRC99 SAPRC99ext ETHENE ETHENE OLE1 OLE2 PROPENE BUTADIENE13 OLE1 OLE2 Gipson, G. L.: Speciation in Models-3/MEPPS and Models-3/SMOKE. 2001 PROPENE + OH, O3, NO3, O(3P) BUTADIENE13 + OH, O3, NO3, O(3P) Source: Carter, W., 2000. Documentation of the SAPRC-99 chemical mechanism for VOC reactivity assessment. OLE1 → 73.2 (SAPRC99) → 85.0 (SAPRC99ext) OLE2 → 75.8 (SAPRC99) → 77.0 (SAPRC99ext) Molecular Weight Source: Carter, W., 2000, Programs and Files Implementing the SAPRC-99 Mechanism and
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