scholarly journals An assessment of the ability of three-dimensional air quality models with current thermodynamic equilibrium models to predict aerosol NO3−

Author(s):  
Shaocai Yu
2008 ◽  
Vol 58 (10) ◽  
pp. 1351-1359 ◽  
Author(s):  
Michelle S. Bergin ◽  
Armistead G. Russell ◽  
Mehmet T. Odman ◽  
Daniel S. Cohan ◽  
William L. Chameides

2008 ◽  
Vol 8 (2) ◽  
pp. 7085-7110
Author(s):  
P. Liu ◽  
Y. Zhang

Abstract. Accurately simulating secondary organic aerosols (SOA) in three-dimensional (3-D) air quality models is challenging due to the complexity of the physics and chemistry involved and the high computational demand required. A computationally-efficient yet accurate SOA module is necessary in 3-D applications for long-term simulations and real-time air quality forecasting. A coupled gas and aerosol box model (i.e., 0-D CMAQ-MADRID 2) is used to optimize relevant processes in order to develop such a SOA module. Solving the partitioning equations for condensable volatile organic compounds (VOCs) and calculating their activity coefficients in the multicomponent mixtures are identified to be the most computationally-expensive processes. The two processes can be speeded up by relaxing the error tolerance levels and reducing the maximum number of iterations of the numerical solver for the partitioning equations for organic species; turning on organic-inorganic interactions only when the water content associated with organic compounds is significant; and parameterizing the calculation of activity coefficients for organic mixtures in the hydrophilic module. The optimal speed-up method can reduce the total CPU cost by up to a factor of 29.7 with ±15% deviation from benchmark results. These speedup methods are applicable to other SOA modules that are based on partitioning theories.


2008 ◽  
Vol 8 (14) ◽  
pp. 3985-3998 ◽  
Author(s):  
P. Liu ◽  
Y. Zhang

Abstract. Accurately simulating secondary organic aerosols (SOA) in three-dimensional (3-D) air quality models is challenging due to the complexity of the physics and chemistry involved and the high computational demand required. A computationally-efficient yet accurate SOA module is necessary in 3-D applications for long-term simulations and real-time air quality forecasting. A coupled gas and aerosol box model (i.e., 0-D CMAQ-MADRID 2) is used to optimize relevant processes in order to develop such a SOA module. Solving the partitioning equations for condensable volatile organic compounds (VOCs) and calculating their activity coefficients in the multicomponent mixtures are identified to be the most computationally-expensive processes. The two processes can be speeded up by relaxing the error tolerance levels and reducing the maximum number of iterations of the numerical solver for the partitioning equations for organic species; conditionally activating organic-inorganic interactions; and parameterizing the calculation of activity coefficients for organic mixtures in the hydrophilic module. The optimal speed-up method can reduce the total CPU cost by up to a factor of 31.4 from benchmark under the rural conditions with 2 ppb isoprene and by factors of 10–71 under various test conditions with 2–10 ppb isoprene and >40% relative humidity while maintaining ±15% deviation. These speed-up methods are applicable to other SOA modules that are based on partitioning theories.


2018 ◽  
Vol 55 (4C) ◽  
pp. 72
Author(s):  
Duong Huu Huy

Aerosol pH is an important parameter that affects air quality, and the health of aquatic and terrestrial ecosystems. However, the lack of such data was reported in Ho Chi Minh City (HCMC), Vietnam. In this study, we estimated the aerosol pH in fine particulate matter (PM2.5) collected in HCMC, Vietnam using the thermodynamic equilibrium models (E-AIM Extended Aerosol Inorganics Model and ISORROPIA-II), and the phase partitioning of ammonia. Aerosol pHs estimated by different methods were 1.7 – 2.9. Good correlations between the phase-partitioning approach and models in predicting the aerosol pH were observed with R2 from 0.77 to 0.89, suggesting that the assumption of equilibrium is valid at the HCMC site.


2021 ◽  
Vol 31 (1) ◽  
Author(s):  
Shin Yu ◽  
Chang Tang Chang ◽  
Chih Ming Ma

AbstractThe traffic congestion in the Hsuehshan tunnel and at the Toucheng interchange has led to traffic-related air pollution with increasing concern. To ensure the authenticity of our simulation, the concentration of the last 150 m in Hsuehshan tunnel was simulated using the computational fluid dynamics fluid model. The air quality at the Toucheng interchange along a 2 km length highway was simulated using the California Line Source Dispersion Model. The differences in air quality between rush hours and normal traffic conditions were also investigated. An unmanned aerial vehicle (UAV) with installed PM2.5 sensors was developed to obtain the three-dimensional distribution of pollutants. On different roads, during the weekend, the concentrations of pollutants such as SOx, CO, NO, and PM2.5 were observed to be in the range of 0.003–0.008, 7.5–15, 1.5–2.5 ppm, and 40–80 μg m− 3, respectively. On weekdays, the vehicle speed and the natural wind were 60 km h− 1 and 2.0 m s− 1, respectively. On weekdays, the SOx, CO, NO, and PM2.5 concentrations were found to be in the range of 0.002–0.003, 3–9, 0.7–1.8 ppm, and 35–50 μg m− 3, respectively. The UAV was used to verify that the PM2.5 concentrations of vertical changes at heights of 9.0, 7.0, 5.0, and 3.0 m were 45–48, 30–35, 25–30, and 50–52 μg m− 3, respectively. In addition, the predicted PM2.5 concentrations were 40–45, 25–30, 45–48, and 45–50 μg m− 3 on weekdays. These results provide a reference model for environmental impact assessments of long tunnels and traffic jam-prone areas. These models and data are useful for transportation planners in the context of creating traffic management plans.


2021 ◽  
Vol 13 (11) ◽  
pp. 6188
Author(s):  
Sungwan Son ◽  
Choon-Man Jang

For students, who spend most of their time in school classrooms, it is important to maintain indoor air quality (IAQ) to ensure a comfortable and healthy life. Recently, the ventilation performance for indoor air quality in elementary schools has emerged as an important social issue due to the increase in the number of days of continuous high concentrations of particulate matter. Three-dimensional numerical analysis has been introduced to evaluate the indoor airflow according to the installation location of return diffusers. Considering the possibility of the cross-infection of infectious diseases between students due to the direction of airflow in the classroom, the airflow angles of the average respiratory height range of elementary school students, between 1.0 and 1.5 m, are analyzed. Throughout the numerical analysis inside the classroom, it is found that the floor return system reduces the indoor horizontal airflow that causes cross-infection among students by 20% compared to the upper return systems. Air ventilation performance is also analyzed in detail using the results of numerical simulation, including streamlines, temperature and the age of air.


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