An adjoint model for the internationally used Community Multiscale Air Quality (CMAQ) modeling platform of the U.S. EPA is developed. The adjoint version for CMAQ (CMAQ-ADJ) provides the user community with forward (decoupled direct method or DDM) and backward (adjoint) sensitivity analysis capabilities. Current implementation is for gasphase processes. Discrete adjoints are implemented for all processes with the exception of horizontal advection, for which, because of inherent discontinuities in the advection scheme, the continuous approach is superior. The adjoint of chemistry is constructed by interfacing CMAQ with the kinetic pre-processor, which provides for increased flexibility in the choice of chemical solver and facilitates the implementation of new chemical mechanisms. The adjoint implementation is evaluated both on a process-by-process basis and for the full model. In general, adjoint results show good agreement with brute-force and DDM sensitivities. As expected for a continuous adjoint implementation in a nonlinear scheme, the agreement is not perfect for horizontal transport. Sensitivities of various air quality, public health, and environmental metrics with respect to emissions are calculated using the adjoint method. In order to show applicability to regional climate studies, as an example, the sensitivities of these metrics with respect to local temperatures are calculated.

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Journal Environmental Science and Technology
Hakami, A, Henze, D.K. (Daven K.), Seinfeld, J.H. (John H.), Singh, K. (Kumaresh), Sandu, A. (Adrian), Kim, S. (Soontae), … Li, Q. (Qinbin). (2007). The adjoint of CMAQ. Environmental Science and Technology, 41(22), 7807–7817. doi:10.1021/es070944p