Systematic Integration of Laboratory Insights Into Chemical Mechanisms Development for SOA Formation

JIA JIANG, Lesly Franco Deloya, Erik Helstrom, Havala Pye, T. Nash Skipper, Rebecca Schwantes, Jesse Kroll, Massachusetts Institute of Technology

     Abstract Number: 133
     Working Group: Instrumentation and Methods

Abstract
Secondary organic aerosol (SOA) formation from the oxidation of volatile organic compounds (VOCs) involves complex, multigenerational chemistry that remains only partially represented in current atmospheric models. While laboratory studies have significantly advanced the detection and quantification of key gas and particle phase intermediates, incorporating these insights into chemical mechanisms remains challenging due to the complexity of the chemistry, the dynamic nature of oxidation processes, and the large volume of data. To address this gap, we introduce the Chemical Assessment for Mechanism Evaluation and Optimization (CAMEO) framework, a unified framework that integrates laboratory data with mechanistic modeling outputs into a centralized database with interactive visualization tools. This framework enables transparent, systematic comparisons between experimental observations and model predictions. We demonstrate its capabilities through application to α-pinene oxidation, a major biogenic source of SOA. Two representative chemical mechanisms are assessed: an explicit mechanism generated using the SAPRC Mechanism Generation System (MechGen) and a lumped mechanism from the Community Regional Atmospheric Chemistry Multiphase Mechanism Version 2 (CRACMM2). By automating species mapping, product grouping, and alignment between observed and modeled outputs, CAMEO enables the examination of α-pinene SOA formation pathways and highlights key mechanistic discrepancies. Its streamlined measurement-model comparisons and scalable, modular design support continuous dataset integration and consistent mechanism development across experimental studies.