Grantee Research Project Results
2023 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 , Carter, William , Emmons, Louisa , Orlando, John
Current 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, 2022 through July 31,2023
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 three focused on finalizing updates to and comparisons between the GECKO-A and MechGen systems (Objective 1). Similarities and differences in these mechanism generation systems, such as the treatments of peroxy radicals (RO2), are being used to evaluate reduction approaches (Objective 2). Three significant accomplishments were made during this third year: 1) the complete documentation of the chemical basis of the SAPRC mechanism generation system (MechGen) was reviewed by the PIs and prepared for publication, and will be submitted in the next reporting period; 2) graduate student Samiha Binte Shahid developed an SOA module that runs in the F0AM box model and can be coupled to SAPRC mechanisms to evaluate gas-phase chemistry and SOA formation now with mechanisms of varying sizes; and 3) Zhizhao Wang, who led work on the development of GENOA (the GENerator of reduced Organic Aerosol mechanism), accepted an offer to join our team as a postdoctoral researcher, and will start in the next reporting period. Julia Lee Taylor (NCAR) and PI Barsanti presented at the Atmospheric Chemical Mechanisms Conference in December 2022. Samiha Binte Shahid will present results from the F0AM box modeling at the American Association for Aerosol Research in October 2023. The close collaboration between the UCR and NCAR teams continues to benefit the scientific objectives of the project, as well as the sustainability goals, to build next generation chemical mechanisms that build on historical and current efforts and become shared community resources.
Future Activities:
The activities in year four will focus on manuscript submission under Objective 1, and task completion under Objectives 2 and 3. We are well poised to advance these objectives with our new postdoctoral scholar Zhizhao Wang, the co-developer of GENOA. We will begin moving beyond single precursor mechanisms to multiple precursor mechanisms describing specific sources and/or ambient conditions. We will continue to grow and support GECKO-A and MechGen user communities, and complete documentation of SAPRC models and tools, including MechGen.
Journal Articles:
No journal articles submitted with this report: View all 7 publications for this projectSupplemental Keywords:
GECKO, SAPRC, peroxy radicals, chemical mechanisms. organics, environmental dataRelevant Websites:
ATMOSPHERIC CHEMISTRY OBSERVATIONS & MODELING - GECKO-A 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.