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A multiphase CMAQ version 5.0 adjoint.
Zhao, Shunliu; Russell, Matthew G; Hakami, Amir; Capps, Shannon L; Turner, Matthew D; Henze, Daven K; Percell, Peter B; Resler, Jaroslav; Shen, Huizhong; Russell, Armistead G; Nenes, Athanasios; Pappin, Amanda J; Napelenok, Sergey L; Bash, Jesse O; Fahey, Kathleen M; Carmichael, Gregory R; Stanier, Charles O; Chai, Tianfeng.
Afiliación
  • Zhao S; Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada.
  • Russell MG; Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada.
  • Hakami A; Department of Civil and Environmental Engineering, Carleton University, Ottawa, ON K1S 5B6, Canada.
  • Capps SL; Civil, Architectural, and Environmental Engineering, Drexel University, Philadelphia, PA 19104, USA.
  • Turner MD; SAIC, Stennis Space Center, MS 39529, USA.
  • Henze DK; Mechanical Engineering Department, University of Colorado, Boulder, CO 80309, USA.
  • Percell PB; Department of Earth & Atmospheric Sciences, University of Houston, Houston, TX 77204, USA.
  • Resler J; Institute of Computer Science of the Czech Academy of Sciences, Prague, 182 07, Czech Republic.
  • Shen H; School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30331, USA.
  • Russell AG; School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30331, USA.
  • Nenes A; School of Earth and Atmospheric Sciences, Georgia Institute of Technology, Atlanta, GA 30331, USA.
  • Pappin AJ; School of Architecture, Civil & Environmental Engineering, École polytechnique fédérale de Lausanne, 1015, Lausanne, Switzerland.
  • Napelenok SL; Institute for Chemical Engineering Sciences, Foundation for Research and Technology Hellas, Patras, 26504, Greece.
  • Bash JO; Air Health Effects Division, Health Canada, Ottawa, ON K1A 0K9, Canada.
  • Fahey KM; Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA.
  • Carmichael GR; Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA.
  • Stanier CO; Atmospheric & Environmental Systems Modeling Division, U.S. EPA, Research Triangle Park, NC 27711, USA.
  • Chai T; Department of Chemical and Biochemical Engineering, University of Iowa, Iowa City, IA 52242, USA.
Geosci Model Dev ; 13(7): 2925-2944, 2020 Jul 02.
Article en En | MEDLINE | ID: mdl-33343831
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 (PM2.5) affect public health across the US.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Geosci Model Dev Año: 2020 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Geosci Model Dev Año: 2020 Tipo del documento: Article País de afiliación: Canadá Pais de publicación: Alemania