Collaborative Research: Reframing Modeling Approaches for Multiphase Chemistry--Isoprene and Beyond

该项目将侧重于建立一个综合的气相和颗粒相化学机制，其中包括气相反应的最新知识、二次有机气溶胶(SOA)前体以及气体/颗粒相态对酸催化多相化学的影响。该机制将在区域和全球范围的模型中实施，预计将改善异戊二烯对SOA的预测。该项目的目标是：(1)开发和评价包括异戊二烯氧化和SOA前体形成的半显式气相化学机理；(2)开发异戊二烯衍生的SOA的多相化学机理，与气相化学机理集成；(3)将新的集成机理实施在空气质量模型中，用于相对于常用机理的评价和灵敏度分析。该项目包括让北卡罗来纳大学瞭望学者计划的第一代本科生参与空气质量研究的计划。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

This project will focus on the creation of an integrated gas- and particle-phase chemical mechanism that incorporates the latest knowledge of gas-phase reactions, secondary organic aerosol (SOA) precursors, and the influence of gas/particle phase state on acid-catalyzed multiphase chemistry. The mechanism will be implemented in both regional and global scale models and is expected to improve the predictions of SOA from isoprene. The objectives of this project are to: (1) develop and evaluate a semi-explicit gas-phase chemical mechanism that includes isoprene oxidation and SOA precursor formation; (2) develop a multiphase chemical mechanism for isoprene-derived SOA, integrated with the gas-phase chemical mechanism; and (3) implement the new integrated mechanism in an air quality model for evaluation and sensitivity analysis relative to commonly used mechanisms. The project includes plans for undergraduate first-generation college students from the Lookout Scholars Program at the University of North Carolina to participate in air quality research.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.