Grantee Research Project Results
2021 Progress Report: Scalable chemical mechanisms of emerging sources for community air quality predictions
EPA Grant Number: R840007Title: Scalable chemical mechanisms of emerging sources for community air quality predictions
Investigators: Barsanti, Kelley , Emmons, Louisa , Carter, William , Orlando, John
Institution: University of California - Riverside , National Center for Atmospheric Research
EPA Project Officer: Chung, Serena
Project Period: August 1, 2020 through July 31, 2023 (Extended to January 31, 2026)
Project Period Covered by this Report: August 1, 2020 through July 31,2021
Project Amount: $784,743
RFA: Chemical Mechanisms to Address New Challenges in Air Quality Modeling (2019) RFA Text | Recipients Lists
Research Category: Watersheds , Endocrine Disruptors , Environmental Engineering , Air Quality and Air Toxics , Air
Objective:
The objectives of this project are to: 1) derive and evaluate explicit chemical mechanisms for representative individual compounds identified in emerging sources using well-established and peer-reviewed protocols; 2) develop approaches to reduce explicit chemical mechanisms, scalable to specific applications; and 3) apply and evaluate new chemistries and reduced chemical mechanisms in air quality model simulations. The goal and the objectives have not changed from the application.
Progress Summary:
Most of the activity in year one was focused on the development and application of mechanisms for camphene and oxygenated aromatics, and the development of tools to support future box and regional modeling simulations. Three significant accomplishments were made during this first year: 1) MechGen was used to derive a chemical mechanism for camphene that was run in the SAPRC box model and then compared with chamber data; the mechanism was used to explain unexpected trends in secondary organic aerosol (SOA) formation as a function of nitrogen oxides (NOx) levels; 2) MechGen capabilities were expanded to enable automatically generated multi-generational mechanisms, enable the use of a solver for non-stiff chemical systems, and process GECKO-A outputs for comparisons with MechGen; and 3) a converter was developed that translates MechGen species into the GECKO-A standard and parses MechGen syntax to GECKO-A syntax, resulting in a SAPRC-based input file that can be run in the GECKO-A box model. The results from 1, Modeling the Role of Peroxy Radicals in Camphene Secondary Organic Aerosol Formation, will be presented at the International Aerosol Modeling Algorithms Conference, online, December 2021 by graduate student Jia Jiang. The close collaboration between the UCR and NCAR teams has benefitted the scientific objectives of the project, and is supporting the sustainability goals, to build next generation chemical mechanisms that build on historical and current efforts and become shared community resources.
Future Activities:
The activity in year two will be focused on the development of reduced chemical mechanisms and their application in box and chemical transport models. Box model simulations will be performed using idealized atmospheric conditions designed to represent a range of sources and chemical conditions of interest (e.g., urban atmosphere under low nitrogen oxides (NOx) and/or as influenced by wildland fire smoke) and informed by observations and base model simulations.
Journal Articles on this Report : 1 Displayed | Download in RIS Format
| Other project views: | All 7 publications | 3 publications in selected types | All 3 journal articles |
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Li Q, Jiang J, Afreh I, Barsanti KC, Cocker III DR. Secondary organic aerosol formation from camphene oxidation:Measurements and modeling. Atmospheric Chemistry and Physics Discussions doi:10.5194/acp-2021-587, in review, 2021. |
R840007 (2021) |
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Supplemental Keywords:
oxygenated aromatics, camphene, chemical mechanisms. organics, environmental dataRelevant Websites:
Gateway to the SAPRC Mechanism Generation System Exit
Progress and Final Reports:
Original AbstractThe perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.