A multiphase CMAQ version 5.0 adjoint

Shunliu Zhao; Matthew G Russell; Amir Hakami; Shannon L Capps; Matthew D Turner; Daven K Henze; Peter B Percell; Jaroslav Resler; Huizhong Shen; Armistead G Russell; Athanasios Nenes; Amanda J Pappin; Sergey L Napelenok; Jesse O Bash; Kathleen M Fahey; Gregory R Carmichael; Charles O Stanier; Tianfeng Chai

doi:10.5194/gmd-13-2925-2020

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A multiphase CMAQ version 5.0 adjoint

Shunliu Zhao, Matthew G Russell, Amir Hakami, Shannon L Capps, Matthew D Turner, Daven K Henze, Peter B Percell, Jaroslav Resler, Huizhong Shen, Armistead G Russell, …

Geoscientific model development, Vol.13(7), pp.2925-2944

07/02/2020

DOI: 10.5194/gmd-13-2925-2020

PMCID: PMC7745733

PMID: 33343831

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Abstract

We present the development of a multiphase adjoint for the Community Multiscale Air Quality (CMAQ) model, a widely used chemical transport model. The adjoint model provides location- and time-specific gradients that can be used in various applications such as backward sensitivity analysis, source attribution, optimal pollution control, data assimilation, and inverse modeling. The science processes of the CMAQ model include gas-phase chemistry, aerosol dynamics and thermodynamics, cloud chemistry and dynamics, diffusion, and advection. Discrete adjoints are implemented for all the science processes, with an additional continuous adjoint for advection. The development of discrete adjoints is assisted with algorithmic differentiation (AD) tools. Particularly, the Kinetic PreProcessor (KPP) is implemented for gas-phase and aqueous chemistry, and two different automatic differentiation tools are used for other processes such as clouds, aerosols, diffusion, and advection. The continuous adjoint of advection is developed manually. For adjoint validation, the brute-force or finite-difference method (FDM) is implemented process by process with box- or column-model simulations. Due to the inherent limitations of the FDM caused by numerical round-off errors, the complex variable method (CVM) is adopted where necessary. The adjoint model often shows better agreement with the CVM than with the FDM. The adjoints of all science processes compare favorably with the FDM and CVM. In an example application of the full multiphase adjoint model, we provide the first estimates of how emissions of particulate matter (PM ) affect public health across the US.

Details

Title: Subtitle: A multiphase CMAQ version 5.0 adjoint
Creators: Shunliu Zhao - Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada
Matthew G Russell - Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada
Amir Hakami - Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada
Shannon L Capps - Civil, Architectural, and Environmental Engineering, Drexel University, Philadelphia, PA 19104, USA
Matthew D Turner - SAIC, Stennis Space Center, MS 39529, USA
Daven K Henze - Mechanical Engineering Department, University of Colorado, Boulder, CO 80309, USA
Peter B Percell - Department of Earth & Atmospheric Sciences, University of Houston, Houston, TX 77204, USA
Jaroslav Resler - Institute of Computer Science of the Czech Academy of Sciences, Prague, 182 07, Czech Republic
Huizhong Shen - School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30331, USA
Armistead G Russell - School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30331, USA
Athanasios Nenes - Institute for Chemical Engineering Sciences, Foundation for Research and Technology Hellas, Patras, 26504, Greece
Amanda J Pappin - Air Health Effects Division, Health Canada, Ottawa, ON K1A 0K9, Canada
Sergey L Napelenok - Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA
Jesse O Bash - Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA
Kathleen M Fahey - Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA
Gregory R Carmichael - Department of Chemical and Biochemical Engineering, University of Iowa, Iowa City, IA 52242, USA
Charles O Stanier - Department of Chemical and Biochemical Engineering, University of Iowa, Iowa City, IA 52242, USA
Tianfeng Chai - College of Computer, Mathematical, and Natural Sciences, University of Maryland, College Park, MD 20742, USA
Resource Type: Journal article
Publication Details: Geoscientific model development, Vol.13(7), pp.2925-2944
DOI: 10.5194/gmd-13-2925-2020
PMID: 33343831
PMCID: PMC7745733
NLM abbreviation: Geosci Model Dev
ISSN: 1991-959X
eISSN: 1991-9603
Publisher: Germany
Grant note: EPA999999 / Intramural EPA
Language: English
Date published: 07/02/2020
Academic Unit: Civil and Environmental Engineering; Nursing; Chemical and Biochemical Engineering
Record Identifier: 9984066341602771

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