Comparative Evaluation of Computationally Efficient Uncertainty Propagation Methods Through Application to Regional-Scale Air Quality Models

Author(s):  
Sastry Isukapalli ◽  
Alper Unal ◽  
Sheng-Wei Wang ◽  
Panos Georgopoulos
Author(s):  
Alice B. Gilliland ◽  
James M. Godowitch ◽  
Christian Hogrefe ◽  
S. T. Rao

Author(s):  
Daiwen Kang ◽  
Brian K. Eder ◽  
Kenneth L. Schere

2021 ◽  
Author(s):  
Stefano Galmarini ◽  
Paul Makar ◽  
Olivia Clifton ◽  
Christian Hogrefe ◽  
Jesse Bash ◽  
...  

Abstract. We present in this technical note the research protocol for Phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This research initiative is divided in two activities, collectively having three goals: (i) to define the current state of the science with respect to representations of wet and especially dry deposition in regional models, (ii) to quantify the extent to which different dry deposition parameterizations influence retrospective air pollutant concentration and flux predictions, and (iii) to identify, through the use of a common set of detailed diagnostics, sensitivity simulations, model evaluation, and reducing input uncertainty, the specific causes for the current range of these predictions. Activity 1 is dedicated to the diagnostic evaluation of wet and dry deposition processes in regional air quality models (described in this paper), and Activity 2 to the evaluation of dry deposition point models against ozone flux measurements at multiple towers with multiyear observations (Part 2). The scope of these papers is to present the scientific protocols for AQMEII4, as well to summarize the technical information associated with the different dry deposition approaches used by the participating research groups of AQMEII4. In addition to describing all common aspects and data used for this multi-model evaluation activity, most importantly, we present the strategy devised to allow a common process-level comparison of dry deposition obtained from models using sometimes very different dry deposition schemes. The strategy is based on adding detailed diagnostics to the algorithms used in the dry deposition modules of existing regional air quality models, in particular archiving land use/land cover (LULC)-specific diagnostics and creating standardized LULC categories to facilitate cross-comparison of LULC-specific dry deposition parameters and processes, as well as archiving effective conductance and effective flux as means for comparing the relative influence of different pathways towards the net or total dry deposition. This new approach, along with an analysis of precipitation and wet deposition fields, will provide an unprecedented process-oriented comparison of deposition in regional air-quality models. Examples of how specific dry deposition schemes used in participating models have been reduced to the common set of comparable diagnostics defined for AQMEII4 are also presented.


2019 ◽  
Author(s):  
S. Trivikrama Rao ◽  
Huiying Luo ◽  
Marina Astitha ◽  
Christian Hogrefe ◽  
Valerie Garcia ◽  
...  

Abstract. Regional-scale air pollution models are routinely being used world-wide for research, forecasting air quality, and regulatory purposes. It is well known that there are both reducible and irreducible uncertainties in the meteorology-atmospheric chemistry modeling systems. Inherent or irreducible uncertainties stem from our inability to properly characterize stochastic variations in atmospheric dynamics and from the incommensurability associated with comparisons of the volume-averaged model estimates with point measurements. Because stochastic variations in atmospheric dynamics and emissions forcing influencing the air pollutant concentrations are difficult to explicitly simulate, one can expect to find a percentile value from the distribution of measured concentrations to have much greater variability than that of the model. This paper presents an observation-based methodology to determine the expected errors from regional air quality models even when the model design, physics, chemistry, and numerical analysis techniques as well as its input data were perfect. To this end, the short-term synoptic-scale fluctuations embedded in the daily maximum 8-hr ozone time series are separated from the longer-term forcings using a simple recursive moving average filter. The inherent variability attributable to the stochastic nature of the atmosphere is determined based on 30+ years of historical ozone time series data measured at various monitoring sites in the contiguous United States. The results reveal that the expected root mean square error at the median and 95th percentile is about 2 ppb and 5 ppb, respectively, even for perfect air quality models driven with perfect input data. Quantitative estimation of the limit to the model's accuracy will help in objectively assessing the current state-of-the-science in regional air pollution models, measuring progress in their evolution, and providing meaningful and firm targets for improvements in their accuracy relative to ambient measurements.


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.


2011 ◽  
Vol 45 (33) ◽  
pp. 5957-5969 ◽  
Author(s):  
Jerold A. Herwehe ◽  
Tanya L. Otte ◽  
Rohit Mathur ◽  
S. Trivikrama Rao

2019 ◽  
Vol 12 (11) ◽  
pp. 4603-4625 ◽  
Author(s):  
Siqi Ma ◽  
Xuelei Zhang ◽  
Chao Gao ◽  
Daniel Q. Tong ◽  
Aijun Xiu ◽  
...  

Abstract. Mineral dust particles play an important role in the Earth system, imposing a variety of effects on air quality, climate, human health, and economy. Accurate forecasts of dust events are highly desirable to provide an early warning and inform the decision-making process. East Asia is one of the largest dust sources in the world. This study applies and evaluates four widely used regional air quality models to simulate dust storms in northeastern China. Three dust schemes in the Weather Research and Forecasting model with Chemistry (WRF-Chem) (version 3.9.1), two schemes in both CHIMERE (version 2017r4) and CMAQ (version 5.2.1), and one scheme in CAMx (version 6.50) were applied to a dust event during 4–6 May 2015 in northeastern China. Most of these models were able to capture this dust event with the exception of CAMx, which has no dust source map covering the study area; hence, another dust source mask map was introduced to replace the default one for the subsequent simulation. Although these models reproduced the spatial pattern of the dust plume, there were large discrepancies between predicted and observed PM10 concentrations in each model. In general, CHIMERE had relatively better performance among all simulations with default configurations. After parameter tuning, WRF-Chem with the Air Force Weather Agency (AFWA) scheme using a seasonal dust source map from Ginoux et al. (2012) showed the best performance, followed by WRF-Chem with the UOC_Shao2004 scheme, CHIMERE, and CMAQ. The performance of CAMx had significantly improved by substituting the default dust map and removing the friction velocity limitation. This study suggested that the dust source maps should be carefully selected on a regional scale or replaced with a new one constructed with local data. Moreover, further study and measurement of sandblasting efficiency of different soil types and locations should be conducted to improve the accuracy of estimated vertical dust fluxes in air quality models.


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