Hybrid IFDMB/4D-Var inverse modeling to constrain the spatiotemporal distribution of CO and NO2 emissions using the CMAQ adjoint model

• Published in: Atmospheric environment (1994) 2024-06, Vol.327, p.120490, Article 120490
• Main Authors: Moon, Jeonghyeok, Choi, Yunsoo, Jeon, Wonbae, Kim, Hyun Cheol, Pouyaei, Arman, Jung, Jia, Pan, Shuai, Kim, Soontae, Kim, Cheol-Hee, Bak, Juseon, Yoo, Jung-Woo, Park, Jaehyeong, Kim, Dongjin
• Format: Article
• Language: English
• Subjects: 4D-var; Adjoint model; CMAQ; IFDMB; Inverse modeling; South Korea
• ISSN: 1352-2310; 1873-2844
• DOI: 10.1016/j.atmosenv.2024.120490

We performed a hybrid approach that combines the iterative finite difference mass balance (IFDMB) and four-dimensional variational data assimilation (4D-Var) methods to effectively constrain the spatiotemporal distribution of emissions. To quantitatively compare the performance of inverse modeling in constraining CO and NO2 emissions in South Korea spatiotemporally, we conducted a model-based twin experiment for three inverse modeling methods: IFDMB, 4D-Var, and hybrid inversions. We performed numerical modeling using the Community Multi-scale Air Quality (CMAQ) and its adjoints to calculate the values required for inverse modeling. As a result, the IFDMB inversion can effectively constrain the average spatial distribution of emissions. Meanwhile, the 4D-Var inversion can help estimate temporal variations in emissions, but it is not effective in regions with large prior emission errors. The hybrid inversion showed the best performance in constraining the spatiotemporal distribution of emissions because it combined the strengths of the two aforementioned methods. Furthermore, to compare the performance of the inverse modeling of pollutants with different chemical properties, we conducted additional inverse modeling for highly reactive NO2. After the application of inverse modeling, the emission errors of NO2 (18.339%) were larger than those of CO (10.593%). This difference in inverse modeling errors was due to the greater nonlinear relationship between emissions and concentrations in the inverse modeling process for NO2, which is more reactive compared to CO. In this study, the ideal modeling tests were performed to quantitatively assess the performance of inverse modeling. In future studies, we expect to apply the hybrid inversion approach used in this study to inverse modeling using actual observations. [Display omitted] •Constraints of CO and NO2 emissions via a hybrid approach that combines the IFDMB and 4D-Var inversions was conducted.•The IFDMB can constrain the spatial distribution of emissions, and the 4D-Var can estimate their temporal variations.•The hybrid inversion showed the best performance in constraining the spatiotemporal distribution of emissions.•The inversion errors of NO2 were larger than those of CO due to the larger nonlinearity between emissions and concentrations.