Grantee Research Project Results
2022 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, 2021 through July 31,2022
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 two was focused on the comparison of GECKO-A and MechGen derived mechanisms, to facilitate the development and evaluation of reduced chemical mechanisms. Three significant accomplishments were made during this second year: 1) significant differences between GECKO-A and MechGen were identified and diagnosed using the mechanism converter developed in year 1; 2) MechGen was fully documented in preparation for peer-review and will be made available online through GitHub; and 3) SAPRC mechanisms, including as derived using MechGen, were modified to successfully run in the F0AM (Framework for 0-D Atmospheric Modeling) box model, which will facilitate achieving Objectives 2 and 3. The results from 1, Comparing GECKO-A and MechGen as a basis for evaluation of simplified mechanisms, will be presented at the Atmospheric Chemical Mechanisms Conference, December 2022 by Julia Lee-Taylor. PI Barsanti also will be presenting objectives and accomplishments under this project during the keynote at the Atmospheric Chemical Mechanisms Conference. 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 three will be focused on the development of reduced chemical mechanisms and their application first in box models and then in three-dimensional chemical transport models. Three approaches for mechanism reduction are being considered, including in collaboration with another group funded through this program. Box model simulations will be performed using full and condensed versions of mechanisms generated using MechGen and GECKO-A. Simulations will be run for a representative mixture of compounds representing modern urban source regions, and across a range of ambient conditions including NOx levels.
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 IK, Barsanti KC, Cocker III DR. Secondary organic aerosol formation from camphene oxidation:measurements and modeling. Atmospheric Chemistry and Physics 2022;22:3131–47 |
R840007 (2022) |
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Supplemental Keywords:
GECKO, SAPRC, peroxy radicals, chemical mechanisms. organics, environmental data
Relevant 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.