Multiphase Atmospheric Chemistry Impacts with PartMC and MultiChem

该项目的重点是开发一个灵活的多相大气化学模拟框架。新的框架有可能显著降低大气建模的计算成本，并提高对大气颗粒物在影响气候中的作用的理解。这将对减少未来气候变化预测的不确定性做出重要贡献，未来气候变化是一个对社会产生重大影响的主题。研究的目的是了解每粒子多相化学如何影响气溶胶混合状态，从而影响气候，重点是有机/无机混合气溶胶。颗粒组成和形态的分布(物理化学混合状态)可以影响气溶胶分配、化学老化和气溶胶吸水，进而影响气溶胶对气候的影响。灵活的多相化学模拟框架(MultiChem)将用于超详细粒子分辨气溶胶模式(PartMC)和标准截面/模式模式的盒子和3-D区域模拟。这项研究将解决的科学问题是：(1)无机和有机物种的气溶胶-气相分配如何影响每粒子的组成和形态，以及由此导致的水分吸收的变化？(2)这些对每粒子的组成和形态的影响如何传播到气溶胶气候影响，特别是气溶胶的光学性质和云凝结核活动？以及(3)这些影响如何取决于气象条件和大气中颗粒和气体的传输？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 is focused on the development of a flexible modeling framework for multiphase atmospheric chemistry. The new framework has the potential for significantly decreasing the computational cost of atmospheric modeling and for improving the understanding of the role of atmospheric particles in influencing climate. This will be an important contribution to reducing the uncertainty in the predictions of future climate change, a subject of great impact for society.The objective of the research is to understand how per-particle multiphase chemistry impacts aerosol mixing state and thus climate, with a focus on mixed organic/inorganic aerosols. The distribution of particle compositions and morphologies (the physicochemical mixing state) can impact gas-aerosol partitioning, chemical aging, and aerosol water uptake, and in turn, impact aerosol impacts on climate. The flexible modeling framework for multiphase chemistry (MultiChem) will be used within an ultra-detailed particle-resolved aerosol model (PartMC) and standard sectional/modal models in both box and 3-D regional simulations.The science questions that will be addressed by this research are: (1) How is per-particle composition and morphology impacted by aerosol-gas phase partitioning of inorganic and organic species and the resulting changes to water uptake? (2) How do these impacts on per-particle composition and morphology propagate into aerosol climate impacts, in particular aerosol optical properties and cloud condensation nuclei activity? and (3) How do these impacts depend on meteorological conditions and the transport of particles and gases in the atmosphere?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.