Evaluating the sensitivity of fine particulate matter (PM2.5) simulations to chemical mechanism in WRF-Chem over Delhi

Rajmal Jat; Chinmay Jena; Prafull P. Yadav; Gaurav Govardhan; Gayatry Kalita; Sreyashi Debnath; Preeti Gunwani; Prodip Acharja; Pooja V. Pawar; Pratul Sharma; Santosh H. Kulkarni; Akshay Kulkarni; Akshara Kaginalkar; Dilip M. Chate; Rajesh Kumar; Vijay Kumar Soni; Sachin D. Ghude

doi:10.1016/j.atmosenv.2024.120410

Evaluating the sensitivity of fine particulate matter (PM_2.5) simulations to chemical mechanism in WRF-Chem over Delhi

Rajmal Jat, Chinmay Jena, Prafull P. Yadav, Gaurav Govardhan, Gayatry Kalita, Sreyashi Debnath, Preeti Gunwani, Prodip Acharja, Pooja V. Pawar, Pratul Sharma, Santosh H. Kulkarni, Akshay Kulkarni, Akshara Kaginalkar, Dilip M. Chate, Rajesh Kumar, Vijay Kumar Soni, Sachin D. Ghude

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6 Scopus citations

Abstract

Accurate prediction of PM_2.5, its optical properties and dominant chemical components are essential for air quality studies. In this study, we investigated the effects of two gas phase chemical schemes coupled with three aerosol mechanisms on the simulated PM_2.5 mass concentration in Delhi using the Weather Research and Forecasting model with Chemistry module (WRF-Chem). The model was employed to cover the entire northern region of India at 10 km horizontal spacing and results were compared with comprehensive field data set on dominant PM_2.5 chemical compounds from the Winter Fog EXperiment (WiFEX) at the Indira-Gandhi International Airport, New Delhi, and surface PM_2.5 observations in Delhi (17 sites), Punjab (3 sites), Haryana (4 sites), Uttar Pradesh (7 sites) and Rajasthan (17 sites). The Model for Ozone and related Chemical Tracers (MOZART) gas-phase chemical mechanism coupled with the Goddard Chemistry Aerosol Radiation and Transport (GOCART) aerosol scheme were selected in the first experiment as it is currently employed in the operational air quality forecasting system of Ministry of Earth Sciences (MoES), Government of India. Other two simulations were performed with the MOZART gas phase chemical mechanism coupled with the Model for Simulating Aerosol Interactions and Chemistry (MOZART-MOSAIC), and Carbon Bond 5 (CB-05) gas mechanism coupled with the Modal Aerosol Dynamics Model for Europe/Secondary Organic Aerosol Model (CB05 - MADE/SORGAM) aerosol mechanisms. The evaluation demonstrated that chemical mechanisms affect the evolution of gas-phase precursors and aerosol processes which in turn affect the optical depth and overall performance of the model for PM_2.5. All the three chemical schemes underestimate the observed concentrations of major aerosol composition and precursor gases over Delhi. Comparison with observations suggests that, the simulations using MOZART gas-phase chemical mechanism with MOSAIC aerosol scheme performed better in simulating aerosols over Delhi and its optical depth over the IGP.

Original language	English
Article number	120410
Journal	Atmospheric Environment
Volume	323
DOIs	https://doi.org/10.1016/j.atmosenv.2024.120410
State	Published - Apr 15 2024
Externally published	Yes

Keywords

Chemical scheme
Fine particulate matter
Indo-gangetic plain
WRF-Chem
WiFEX

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10.1016/j.atmosenv.2024.120410

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Jat, R., Jena, C., Yadav, P. P., Govardhan, G., Kalita, G., Debnath, S., Gunwani, P., Acharja, P., Pawar, P. V., Sharma, P., Kulkarni, S. H., Kulkarni, A., Kaginalkar, A., Chate, D. M., Kumar, R., Soni, V. K., & Ghude, S. D. (2024). Evaluating the sensitivity of fine particulate matter (PM_2.5) simulations to chemical mechanism in WRF-Chem over Delhi. Atmospheric Environment, 323, Article 120410. https://doi.org/10.1016/j.atmosenv.2024.120410

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title = "Evaluating the sensitivity of fine particulate matter (PM2.5) simulations to chemical mechanism in WRF-Chem over Delhi",

abstract = "Accurate prediction of PM2.5, its optical properties and dominant chemical components are essential for air quality studies. In this study, we investigated the effects of two gas phase chemical schemes coupled with three aerosol mechanisms on the simulated PM2.5 mass concentration in Delhi using the Weather Research and Forecasting model with Chemistry module (WRF-Chem). The model was employed to cover the entire northern region of India at 10 km horizontal spacing and results were compared with comprehensive field data set on dominant PM2.5 chemical compounds from the Winter Fog EXperiment (WiFEX) at the Indira-Gandhi International Airport, New Delhi, and surface PM2.5 observations in Delhi (17 sites), Punjab (3 sites), Haryana (4 sites), Uttar Pradesh (7 sites) and Rajasthan (17 sites). The Model for Ozone and related Chemical Tracers (MOZART) gas-phase chemical mechanism coupled with the Goddard Chemistry Aerosol Radiation and Transport (GOCART) aerosol scheme were selected in the first experiment as it is currently employed in the operational air quality forecasting system of Ministry of Earth Sciences (MoES), Government of India. Other two simulations were performed with the MOZART gas phase chemical mechanism coupled with the Model for Simulating Aerosol Interactions and Chemistry (MOZART-MOSAIC), and Carbon Bond 5 (CB-05) gas mechanism coupled with the Modal Aerosol Dynamics Model for Europe/Secondary Organic Aerosol Model (CB05 - MADE/SORGAM) aerosol mechanisms. The evaluation demonstrated that chemical mechanisms affect the evolution of gas-phase precursors and aerosol processes which in turn affect the optical depth and overall performance of the model for PM2.5. All the three chemical schemes underestimate the observed concentrations of major aerosol composition and precursor gases over Delhi. Comparison with observations suggests that, the simulations using MOZART gas-phase chemical mechanism with MOSAIC aerosol scheme performed better in simulating aerosols over Delhi and its optical depth over the IGP.",

keywords = "Chemical scheme, Fine particulate matter, Indo-gangetic plain, WRF-Chem, WiFEX",

author = "Rajmal Jat and Chinmay Jena and Yadav, \{Prafull P.\} and Gaurav Govardhan and Gayatry Kalita and Sreyashi Debnath and Preeti Gunwani and Prodip Acharja and Pawar, \{Pooja V.\} and Pratul Sharma and Kulkarni, \{Santosh H.\} and Akshay Kulkarni and Akshara Kaginalkar and Chate, \{Dilip M.\} and Rajesh Kumar and Soni, \{Vijay Kumar\} and Ghude, \{Sachin D.\}",

note = "Publisher Copyright: {\textcopyright} 2024 Elsevier Ltd",

year = "2024",

month = apr,

day = "15",

doi = "10.1016/j.atmosenv.2024.120410",

language = "English",

volume = "323",

journal = "Atmospheric Environment",

issn = "1352-2310",

publisher = "Elsevier Ltd",

}

Jat, R, Jena, C, Yadav, PP, Govardhan, G, Kalita, G, Debnath, S, Gunwani, P, Acharja, P, Pawar, PV, Sharma, P, Kulkarni, SH, Kulkarni, A, Kaginalkar, A, Chate, DM, Kumar, R, Soni, VK & Ghude, SD 2024, 'Evaluating the sensitivity of fine particulate matter (PM_2.5) simulations to chemical mechanism in WRF-Chem over Delhi', Atmospheric Environment, vol. 323, 120410. https://doi.org/10.1016/j.atmosenv.2024.120410

TY - JOUR

T1 - Evaluating the sensitivity of fine particulate matter (PM2.5) simulations to chemical mechanism in WRF-Chem over Delhi

AU - Jat, Rajmal

AU - Jena, Chinmay

AU - Yadav, Prafull P.

AU - Govardhan, Gaurav

AU - Kalita, Gayatry

AU - Debnath, Sreyashi

AU - Gunwani, Preeti

AU - Acharja, Prodip

AU - Pawar, Pooja V.

AU - Sharma, Pratul

AU - Kulkarni, Santosh H.

AU - Kulkarni, Akshay

AU - Kaginalkar, Akshara

AU - Chate, Dilip M.

AU - Kumar, Rajesh

AU - Soni, Vijay Kumar

AU - Ghude, Sachin D.

PY - 2024/4/15

Y1 - 2024/4/15

N2 - Accurate prediction of PM2.5, its optical properties and dominant chemical components are essential for air quality studies. In this study, we investigated the effects of two gas phase chemical schemes coupled with three aerosol mechanisms on the simulated PM2.5 mass concentration in Delhi using the Weather Research and Forecasting model with Chemistry module (WRF-Chem). The model was employed to cover the entire northern region of India at 10 km horizontal spacing and results were compared with comprehensive field data set on dominant PM2.5 chemical compounds from the Winter Fog EXperiment (WiFEX) at the Indira-Gandhi International Airport, New Delhi, and surface PM2.5 observations in Delhi (17 sites), Punjab (3 sites), Haryana (4 sites), Uttar Pradesh (7 sites) and Rajasthan (17 sites). The Model for Ozone and related Chemical Tracers (MOZART) gas-phase chemical mechanism coupled with the Goddard Chemistry Aerosol Radiation and Transport (GOCART) aerosol scheme were selected in the first experiment as it is currently employed in the operational air quality forecasting system of Ministry of Earth Sciences (MoES), Government of India. Other two simulations were performed with the MOZART gas phase chemical mechanism coupled with the Model for Simulating Aerosol Interactions and Chemistry (MOZART-MOSAIC), and Carbon Bond 5 (CB-05) gas mechanism coupled with the Modal Aerosol Dynamics Model for Europe/Secondary Organic Aerosol Model (CB05 - MADE/SORGAM) aerosol mechanisms. The evaluation demonstrated that chemical mechanisms affect the evolution of gas-phase precursors and aerosol processes which in turn affect the optical depth and overall performance of the model for PM2.5. All the three chemical schemes underestimate the observed concentrations of major aerosol composition and precursor gases over Delhi. Comparison with observations suggests that, the simulations using MOZART gas-phase chemical mechanism with MOSAIC aerosol scheme performed better in simulating aerosols over Delhi and its optical depth over the IGP.

AB - Accurate prediction of PM2.5, its optical properties and dominant chemical components are essential for air quality studies. In this study, we investigated the effects of two gas phase chemical schemes coupled with three aerosol mechanisms on the simulated PM2.5 mass concentration in Delhi using the Weather Research and Forecasting model with Chemistry module (WRF-Chem). The model was employed to cover the entire northern region of India at 10 km horizontal spacing and results were compared with comprehensive field data set on dominant PM2.5 chemical compounds from the Winter Fog EXperiment (WiFEX) at the Indira-Gandhi International Airport, New Delhi, and surface PM2.5 observations in Delhi (17 sites), Punjab (3 sites), Haryana (4 sites), Uttar Pradesh (7 sites) and Rajasthan (17 sites). The Model for Ozone and related Chemical Tracers (MOZART) gas-phase chemical mechanism coupled with the Goddard Chemistry Aerosol Radiation and Transport (GOCART) aerosol scheme were selected in the first experiment as it is currently employed in the operational air quality forecasting system of Ministry of Earth Sciences (MoES), Government of India. Other two simulations were performed with the MOZART gas phase chemical mechanism coupled with the Model for Simulating Aerosol Interactions and Chemistry (MOZART-MOSAIC), and Carbon Bond 5 (CB-05) gas mechanism coupled with the Modal Aerosol Dynamics Model for Europe/Secondary Organic Aerosol Model (CB05 - MADE/SORGAM) aerosol mechanisms. The evaluation demonstrated that chemical mechanisms affect the evolution of gas-phase precursors and aerosol processes which in turn affect the optical depth and overall performance of the model for PM2.5. All the three chemical schemes underestimate the observed concentrations of major aerosol composition and precursor gases over Delhi. Comparison with observations suggests that, the simulations using MOZART gas-phase chemical mechanism with MOSAIC aerosol scheme performed better in simulating aerosols over Delhi and its optical depth over the IGP.

KW - Chemical scheme

KW - Fine particulate matter

KW - Indo-gangetic plain

KW - WRF-Chem

KW - WiFEX

UR - https://www.scopus.com/pages/publications/85185557997

U2 - 10.1016/j.atmosenv.2024.120410

DO - 10.1016/j.atmosenv.2024.120410

M3 - Article

AN - SCOPUS:85185557997

SN - 1352-2310

VL - 323

JO - Atmospheric Environment

JF - Atmospheric Environment

M1 - 120410

ER -

Evaluating the sensitivity of fine particulate matter (PM_2.5) simulations to chemical mechanism in WRF-Chem over Delhi

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Keywords

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