A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1

Geoscientific Model Development
Kathleen M FaheyJohn H Offenberg

Abstract

This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM -KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used to generate a Rosenbrock solver (Rodas3) to integrate the stiff system of ordinary differential equations (ODEs) that describe the mass transfer, chemical kinetics, and scavenging processes of CMAQ clouds. CMAQ's standard cloud chemistry module (AQCHEM) is structurally limited to the treatment of a simple chemical mechanism. This work advances our ability to test and implement more sophisticated aqueous chemical mechanisms in CMAQ and further investigate the impacts of microphysical parameters on cloud chemistry. Box model cloud chemistry simulations were performed to choose efficient solver and tolerance settings, evaluate the implementation of the KPP solver, and assess the direct impacts of alternative solver and kinetic mass transfer on predicted concentrations for a range of scenarios. Month-long CMAQ simulations for winter and summer periods over the US reveal the changes in model predictions due to these cloud module updates within the full chemical transport model....Continue Reading

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Citations

Jul 3, 2018·Atmospheric Chemistry and Physics·Jingqiu MaoLarry W Horowitz
Dec 22, 2020·Geoscientific Model Development·Shunliu ZhaoTianfeng Chai
Jan 12, 2021·Atmospheric Chemistry and Physics·Havala O T PyeAndreas Zuend
Sep 30, 2018·Environmental Pollution·Donna B SchwedeWim deVries
Oct 23, 2021·Geoscientific Model Development·K Wyat AppelDavid C Wong

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