Articles | Volume 26, issue 8
https://doi.org/10.5194/acp-26-5497-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Collection:
https://doi.org/10.5194/acp-26-5497-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
PAMS-constrained top-down calibration of VOC-speciated CMAQ simulations
Department of Environmental Engineering, Chung Yuan Christian University, Taoyuan, 320, Taiwan
Chieh-Heng Wang
Center for Environmental Studies, National Central University, Taoyuan, 320, Taiwan
Yi-Ju Lee
Department of Atmospheric Science, National Central University, Taoyuan, 320, Taiwan
Fang-Yi Cheng
Department of Atmospheric Science, National Central University, Taoyuan, 320, Taiwan
Jia-Lin Wang
CORRESPONDING AUTHOR
Department of Chemistry, National Central University, Taoyuan, 320, Taiwan
Related authors
No articles found.
Duy-Hieu Nguyen, Hsin-Cheng Hsieh, Mao-Chang Liang, Neng-Huei Lin, Chieh-Heng Wang, and Jia-Lin Wang
Atmos. Chem. Phys., 26, 2831–2852, https://doi.org/10.5194/acp-26-2831-2026, https://doi.org/10.5194/acp-26-2831-2026, 2026
Short summary
Short summary
Using year-round, high-frequency non-methane hydrocarbons measurements from three monitoring sites, each with distinct source–receptor characteristics, this study applied the source apportionment model to resolve eight sources and assess ozone-forming potential. Distinct acetylene plumes at Linyuan (R² > 0.99) provided an internal consistency check. Results reveal spatial–seasonal source variability and highlight the roles of petroleum, mixed, and aged air sources in ozone formation management.
Cited articles
Ahmed, M., Ahmad, M., and Rappenglueck, B.: Twenty years (2004–2023) observation of non-methane hydrocarbons in a subtropical coastal environment – Indications of increased isoprene emissions, Atmospheric Environment, 343, 120993, https://doi.org/10.1016/j.atmosenv.2024.120993, 2025.
Atkinson, R.: Atmospheric chemistry of VOCs and NOx, Atmos. Environ., 34, 2063–2101, https://doi.org/10.1016/S1352-2310(99)00460-4, 2013.
Byun, D. and Ching, J.: Science algorithms of the EPA Models-3 Community Multiscale Air Quality (CMAQ) Modeling System, U.S. Environmental Protection Agency, EPA/600/R-99/030, Research Triangle Park, NC, USA, 1999.
Byun, D. and Schere, K.: Review of the Governing Equations, Computational Algorithms, and Other Components of the Models-3 Community Multiscale Air Quality (CMAQ) Modeling System, Applied Mechanics Reviews, 59, 51–77, https://doi.org/10.1115/1.2128636, 2006.
Cardelino, C. and Chameides, W. L.: Natural hydrocarbons, urbanization, and urban ozone, Journal of Geophysical Research, 95, https://doi.org/10.1029/JD095iD09p13971, 1990.
Carter, W.: Development of the SAPRC-07 chemical mechanism, Atmos. Environ., 44, 5324–5335, https://doi.org/10.1016/j.atmosenv.2010.01.026, 2010.
Chang, C. Y., Wang, J. L., Chen, Y. C., Pan, X. X., Chen, W. N., Lin, M. R., Ho, Y. J., Chuang, M. T., Liu, W. T., and Chang, C. C.: A study of the vertical homogeneity of trace gases in East Asian continental outflow, Chemosphere, 297, 134165, https://doi.org/10.1016/j.chemosphere.2022.134165, 2022.
Chang, J. H.-W., Griffith, S. M., Kong, S. S.-K., Chuang, M.-T., and Lin, N.-H.: Development of a CMAQ–PMF-based composite index for prescribing an effective ozone abatement strategy: a case study of sensitivity of surface ozone to precursor volatile organic compound species in southern Taiwan, Atmos. Chem. Phys., 23, 6357–6382, https://doi.org/10.5194/acp-23-6357-2023, 2023.
Chang, S. C. and Lee, C. T.: Ozone variations through vehicle emissions reductions based on air quality monitoring data in Taipei City, Taiwan, from 1994 to 2003, Atmospheric Environment, 40, 3513–3526, https://doi.org/10.1016/j.atmosenv.2006.01.038, 2006.
Chen, S. P., Liu, T. H., Chen, T. F., Ou-Yang, C. F., Wang, J. L., and Chang, J. S.: Diagnostic Modeling of PAMS VOC Observation, Environmental Science & Technology, 44, 4635–4644, https://doi.org/10.1021/es903361r, 2010.
Chen, S. P., Liu, W. T., Ou-Yang, C. F., Chang, J. S., and Wang, J. L.: Optimizing the emission inventory of volatile organic compounds (VOCs) based on network observations, Atmospheric Environment, 84, 1–8, https://doi.org/10.1016/j.atmosenv.2013.10.059, 2014a.
Chen, S. P., Chang, C. C., Liu, J. J., Chou, C. C. K., Chang, J. S., and Wang, J. L.: Recent improvement in air quality as evidenced by the island-wide monitoring network in Taiwan, Atmospheric Environment, 96, 70–77, https://doi.org/10.1016/j.atmosenv.2014.06.060, 2014b.
Chen, S. P., Su, Y. C., Chiu, C. J., Lin, C. H., Chang, J. S., Chang, C. C., and Wang, J. L.: Inter-comparison of network measurements of non-methane organic compounds with model simulations, Atmospheric Environment, 122, 94–102, https://doi.org/10.1016/j.atmosenv.2015.09.033, 2015.
Chen, S. P., Liu, W. T., Hsieh, H. C., and Wang, J. L.: Taiwan ozone trend in response to reduced domestic precursors and perennial transboundary influence, Environmental Pollution, 289, 117883, https://doi.org/10.1016/j.envpol.2021.117883, 2021.
Chen, T. F., Gong, X. L., Tsai, C. Y., and Chang, K. H.: Method for planning subarea emission reduction strategies to improve ozone over a large area: A case of Taiwan, Atmospheric Environment, 350, 121149, https://doi.org/10.1016/j.atmosenv.2025.121149, 2025.
Cheng, F.-Y., Jian, S.-P., Yang, Z.-M., Yen, M.-C., and Tsuang, B.-J.: Influence of regional climate change on meteorological characteristics and their subsequent effect on ozone dispersion in Taiwan, Atmospheric Environment, 103, 66–81, https://doi.org/10.1016/j.atmosenv.2014.12.020, 2015.
Cheng, F. Y., Feng, C. Y., Yang, Z. M., Hsu, C. H., Chan, K. W., Lee, C. Y., and Chang, S. C.: Evaluation of real-time PM2.5 forecasts with the WRF-CMAQ modeling system and weather-pattern-dependent bias-adjusted PM2.5 forecasts in Taiwan, Atmospheric Environment, 244, 117909, https://doi.org/10.1016/j.atmosenv.2020.117909, 2021.
Choi, J., Henze, D. K., Nawaz, M. O., and Malley, C. S.: Source Attribution of Health Burdens From Ambient PM2.5, O3, and NO2 Exposure for Assessment of South Korean National Emission Control Scenarios by 2050, GeoHealth, 8, e2024GH001042, https://doi.org/10.1029/2024GH001042, 2024.
Chuang, M. T., Chou, C. C. K., Lin, C. Y., Lee, J. H., Lin, W. C., Chen, Y. Y., Chang, C. C., Lee, C. T., Kong, S. S.-K., and Lin, T. H.: A numerical study of reducing the concentration of O3 and PM2.5 simultaneously in Taiwan, Journal of Environmental Management, 318, 115614, https://doi.org/10.1016/j.jenvman.2022.115614, 2022.
Emmons, L. K., Walters, S., Hess, P. G., Lamarque, J.-F., Pfister, G. G., Fillmore, D., Granier, C., Guenther, A., Kinnison, D., Laepple, T., Orlando, J., Tie, X., Tyndall, G., Wiedinmyer, C., Baughcum, S. L., and Kloster, S.: Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4), Geosci. Model Dev., 3, 43–67, https://doi.org/10.5194/gmd-3-43-2010, 2010.
Fine, J., Vuilleumier, L., Reynolds, S., Roth, P., and Brown, N.: Evaluating Uncertainties in Regional Photochemical Air Quality Modeling, Annual Review of Environment and Resources, 28, 59–106, https://doi.org/10.1146/annurev.energy.28.011503.163508, 2003.
Ge, Y., Solberg, S., Heal, M. R., Reimann, S., van Caspel, W., Hellack, B., Salameh, T., and Simpson, D.: Evaluation of modelled versus observed non-methane volatile organic compounds at European Monitoring and Evaluation Programme sites in Europe, Atmos. Chem. Phys., 24, 7699–7729, https://doi.org/10.5194/acp-24-7699-2024, 2024.
Goldstein, A. and Galbally, I.: Known and Unexplored Organic Constituents in the Earth's Atmosphere, Environmental Science and Technology, 41, https://doi.org/10.1021/es072476p, 2007.
Goliff, W. S., Stockwell, W. R., and Lawson, C. V.: The regional atmospheric chemistry mechanism, version 2, Atmospheric Environment, 68, 174–185, https://doi.org/10.1016/j.atmosenv.2012.11.038, 2013.
Guenther, A., Karl, T., Harley, P., Wiedinmyer, C., Palmer, P. I., and Geron, C.: Estimates of global terrestrial isoprene emissions using MEGAN (Model of Emissions of Gases and Aerosols from Nature), Atmos. Chem. Phys., 6, 3181–3210, https://doi.org/10.5194/acp-6-3181-2006, 2006.
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012.
Kang, Y. H., Oh, I., Jeong, J.-H., Bang, J.-H., Kim, Y.-K., Kim, S., Kim, E., Hong, J.-H., and Lee, D.-G.: Comparison of CMAQ Ozone Simulations with Two Chemical Mechanisms (SAPRC99 and CB05) in the Seoul Metropolitan Region, Journal of Environmental Science International, 25, 85–97, https://doi.org/10.5322/JESI.2016.25.1.85, 2016.
Lee, B. S. and Wang, J. L.: Concentration variation of isoprene and its implications for peak ozone concentration, Atmospheric Environment, 40, 5486–5495, https://doi.org/10.1016/j.atmosenv.2006.03.035, 2006.
Li, M., Zhang, Q., Kurokawa, J.-I., Woo, J.-H., He, K., Lu, Z., Ohara, T., Song, Y., Streets, D. G., Carmichael, G. R., Cheng, Y., Hong, C., Huo, H., Jiang, X., Kang, S., Liu, F., Su, H., and Zheng, B.: MIX: a mosaic Asian anthropogenic emission inventory under the international collaboration framework of the MICS-Asia and HTAP, Atmos. Chem. Phys., 17, 935–963, https://doi.org/10.5194/acp-17-935-2017, 2017.
Lin, C. Y., Wang, Z., Chou, C. C. K., Chang, C. C., and Liu, S. C.: A numerical study of an autumn high ozone episode over southwestern Taiwan, Atmospheric Environment, 41, 3684–3701, https://doi.org/10.1016/j.atmosenv.2006.12.050, 2007.
Metzger, A., Dommen, J., Gaeggeler, K., Duplissy, J., Prevot, A. S. H., Kleffmann, J., Elshorbany, Y., Wisthaler, A., and Baltensperger, U.: Evaluation of 1,3,5 trimethylbenzene degradation in the detailed tropospheric chemistry mechanism, MCMv3.1, using environmental chamber data, Atmos. Chem. Phys., 8, 6453–6468, https://doi.org/10.5194/acp-8-6453-2008, 2008.
Palmer, P. I., Jacob, D. J., Fiore, A. M., Martin, R. V., Chance, K., and Kurosu, T. P.: Mapping isoprene emissions over North America using formaldehyde column observations from space, Journal of Geophysical Research: Atmospheres, 108, https://doi.org/10.1029/2002JD002153, 2003.
Palmer, P. I., Abbot, D. S., Fu, T. M., Jacob, D. J., Chance, K., Kurosu, T. P., Guenther, A., Wiedinmyer, C., Stanton, J. C., Pilling, M. J., Pressley, S. N., Lamb, B., and Sumner, A. L.: Quantifying the seasonal and interannual variability of North American isoprene emissions using satellite observations of the formaldehyde column, Journal of Geophysical Research: Atmospheres, 111, https://doi.org/10.1029/2005JD006689, 2006.
Rowlinson, M. J., Evans, M. J., Carpenter, L. J., Read, K. A., Punjabi, S., Adedeji, A., Fakes, L., Lewis, A., Richmond, B., Passant, N., Murrells, T., Henderson, B., Bates, K. H., and Helmig, D.: Revising VOC emissions speciation improves the simulation of global background ethane and propane, Atmos. Chem. Phys., 24, 8317–8342, https://doi.org/10.5194/acp-24-8317-2024, 2024.
Shiu, C. J., Liu, S. C., Chang, C. C., Chen, J. P., Chou, C. C. K., Lin, C. Y., and Young, C. Y.: Photochemical production of ozone and control strategy for Southern Taiwan, Atmospheric Environment, 41, 9324–9340, https://doi.org/10.1016/j.atmosenv.2007.09.014, 2007.
Skamarock, W. C., Klemp, J., Dudhia, J., Gill, D. O., Barker, D., Wang, W., and Powers, J. G.: A Description of the Advanced Research WRF Version 3, NCAR Technical Note NCAR/TN-475+STR, National Center for Atmospheric Research (NCAR), Boulder, Colorado, USA, 113 pp., 3–27, 2008.
Stockwell, W., Middleton, P., and Chang, J.: The Second Generation Regional Acid Deposition Model Chemical Mechanism for Regional Air Quality Modeling, Journal of Geophysical Research, 951, 16343–16367, https://doi.org/10.1029/JD095iD10p16343, 1990.
Stockwell, W., Kirchner, F., Kuhn, M., and Seefeld, S.: A New Mechanism for Regional Atmospheric Chemistry Modeling, Journal of Geophysical Research-Atmospheres, 102, 25847–25879, https://doi.org/10.1029/97JD00849, 1997.
Su, Y. C., Chen, S. P., Tong, Y. H., Fan, C. L., Chen, W. H., Wang, J. L., and Chang, J. S.: Assessment of regional influence from a petrochemical complex by modeling and fingerprint analysis of volatile organic compounds (VOCs), Atmospheric Environment, 141, 394–407, https://doi.org/10.1016/j.atmosenv.2016.07.006, 2016.
Tsai, C. S., Huang, P. C., Lai, H. C., Lin, J. C., and Hung, H. M.: Addressing underestimated carbon monoxide emissions in Taiwan using CMAQ and impacts on local ozone concentration, Atmospheric Environment, 26, 100325, https://doi.org/10.1016/j.aeaoa.2025.100325, 2025.
US EPA Office of Research and Development: CMAQ (5.5), Zenodo [data set], https://doi.org/10.5281/zenodo.13883210, 2024.
von Schneidemesser, E., McDonald, B. C., Denier van der Gon, H., Crippa, M., Guizzardi, D., Borbon, A., Dominutti, P., Huang, G., Jansens-Maenhout, G., Li, M., Ou-Yang, C.-F., Tisinai, S., and Wang, J.-L.: Comparing Urban Anthropogenic NMVOC Measurements With Representation in Emission Inventories–A Global Perspective, Journal of Geophysical Research: Atmospheres, 128, e2022JD037906, https://doi.org/10.1029/2022JD037906, 2023.
Wang, J. L., Chew, C., Chang, C. Y., Liao, W. C., Lung, S. C. C., Chen, W. N., Lee, P. J., Lin, P. H., and Chang, C. C.: Biogenic isoprene in subtropical urban settings and implications for air quality, Atmospheric Environment, 79, 369–379, https://doi.org/10.1016/j.atmosenv.2013.06.055, 2013.
Wang, Y. X., McElroy, M. B., Wang, T., and Palmer, P. I.: Asian emissions of CO and NOx: Constraints from aircraft and Chinese station data, Journal of Geophysical Research: Atmospheres, 109, https://doi.org/10.1029/2004JD005250, 2004.
Wu, B. Z., Chang, C. C., Sree, U., Chiu, K., and Lo, J. G.: Measurement of non-methane hydrocarbons in Taipei city and their impact on ozone formation in relation to air quality, Analytica Chimica Acta, 576, 91–99, https://doi.org/10.1016/j.aca.2006.03.009, 2006.
Yang, K. L., Ting, C. C., Wang, J. L., Wingenter, O. W., and Chan, C. C.: Diurnal and seasonal cycles of ozone precursors observed from continuous measurement at an urban site in Taiwan, Atmospheric Environment, 39, 3221–3230, https://doi.org/10.1016/j.atmosenv.2005.02.003, 2005.
Yarwood, G., Rao, S., Yocke, M., and Whitten, G.: Updates to the carbon bond chemical mechanism: CB05 final report to the US EPA, RT-0400675, Final Report to the U.S. Environmental Protection Agency, RT-0400675, Ramboll Environ, Novato, CA, USA, 2005.
Ying, Q. and Li, J.: Implementation and initial application of the near-explicit Master Chemical Mechanism in the 3D Community Multiscale Air Quality (CMAQ) model, Atmospheric Environment, 45, 3244–3256, https://doi.org/10.1016/j.atmosenv.2011.03.043, 2011.
Zaveri, R. A. and Peters, L. K.: A new lumped structure photochemical mechanism for large-scale applications, Journal of Geophysical Research: Atmospheres, 104, 30387-30415, https://doi.org/10.1029/1999JD900876, 1999.
Zhang, Y., Vijayaraghavan, K., and Seigneur, C.: Evaluation of three probing techniques in a three-dimensional air quality model, Journal of Geophysical Research: Atmospheres, 110, https://doi.org/10.1029/2004JD005248, 2005.
Zheng, B., Tong, D., Li, M., Liu, F., Hong, C., Geng, G., Li, H., Li, X., Peng, L., Qi, J., Yan, L., Zhang, Y., Zhao, H., Zheng, Y., He, K., and Zhang, Q.: Trends in China's anthropogenic emissions since 2010 as the consequence of clean air actions, Atmos. Chem. Phys., 18, 14095–14111, https://doi.org/10.5194/acp-18-14095-2018, 2018.
Short summary
Air quality models often group many chemicals together, which can limit their ability to reflect real-world air pollution. In this study, we improved a widely used model by simulating 54 individual organic air pollutants measured across Taiwan. By comparing the model with observations, we corrected emission estimates and improved accuracy. The results show that a small number of pollutants strongly influence ozone formation, offering clear guidance for more effective air quality control.
Air quality models often group many chemicals together, which can limit their ability to reflect...
Altmetrics
Final-revised paper
Preprint