scholarly journals Supplementary material to "MP CBM-Z V1.0: design for a new CBM-Z gas-phase chemical mechanism architecture for next generation processors"

2018 ◽  
Author(s):  
Hui Wang ◽  
Junmin Lin ◽  
Qizhong Wu ◽  
Huansheng Chen ◽  
Xiao Tang ◽  
...  
Keyword(s):  
Gas Phase ◽  
Chemical Mechanism ◽  
Next Generation ◽  
Supplementary Material ◽  
Phase Chemical

scholarly journals MP CBM-Z V1.0: design for a new CBM-Z gas-phase chemical mechanism architecture for next generation processors

2018 ◽  
Author(s):  
Hui Wang ◽  
Junmin Lin ◽  
Qizhong Wu ◽  
Huansheng Chen ◽  
Xiao Tang ◽  
...  
Keyword(s):  
Air Quality ◽  
Gas Phase ◽  
Chemical Mechanism ◽  
Next Generation ◽  
Air Quality Model ◽  
Quality Model ◽  
Fine Grain ◽  
Multiple Data ◽  
Phase Chemical ◽  
Intel Xeon

Abstract. Precise and rapid air quality simulation and forecasting are limited by the computation performance of the air quality model, and the gas-phase chemistry module is the most time-consuming function in the air quality model. In this study, we designed a new framework for the widely used Carbon Bond Mechanism Z (CBM-Z) gas-phase chemical kinetics kernel to adapt the Single Instruction Multiple Data (SIMD) technology in the next-generation processors for improving its calculation performance. The optimization implements the fine-grain level parallelization of CBM-Z by improving its vectorization ability. Through constructing loops and integrating the main branches, e.g. diverse chemistry sub-schemes, multiple spatial points in the model can be operated simultaneously on vector processing units (VPU). The Intel Xeon E5-2697 V4 CPU and Intel Xeon Phi 7250 Knight Landing (KNL) are used as the benchmark processors. The validation of the model outputs indicates that the relative errors are in an acceptable range (

scholarly journals Gaseous chemistry and aerosol mechanism developments for version 3.5.1 of the online regional model, WRF-Chem

2014 ◽  
Vol 7 (6) ◽  
pp. 2557-2579 ◽  
Author(s):  
S. Archer-Nicholls ◽  
D. Lowe ◽  
S. Utembe ◽  
J. Allan ◽  
R. A. Zaveri ◽  
...  
Keyword(s):  
Gas Phase ◽  
Chemical Mechanism ◽  
Reduced Form ◽  
Sea Spray ◽  
Wind Fields ◽  
Aerosol Composition ◽  
Aerosol Emission ◽  
Sea Spray Aerosol ◽  
The Impact ◽  
Phase Chemical

Abstract. We have made a number of developments to the Weather, Research and Forecasting model coupled with Chemistry (WRF-Chem), with the aim of improving model prediction of trace atmospheric gas-phase chemical and aerosol composition, and of interactions between air quality and weather. A reduced form of the Common Reactive Intermediates gas-phase chemical mechanism (CRIv2-R5) has been added, using the Kinetic Pre-Processor (KPP) interface, to enable more explicit simulation of VOC degradation. N2O5 heterogeneous chemistry has been added to the existing sectional MOSAIC aerosol module, and coupled to both the CRIv2-R5 and existing CBM-Z gas-phase schemes. Modifications have also been made to the sea-spray aerosol emission representation, allowing the inclusion of primary organic material in sea-spray aerosol. We have worked on the European domain, with a particular focus on making the model suitable for the study of nighttime chemistry and oxidation by the nitrate radical in the UK atmosphere. Driven by appropriate emissions, wind fields and chemical boundary conditions, implementation of the different developments are illustrated, using a modified version of WRF-Chem 3.4.1, in order to demonstrate the impact that these changes have in the Northwest European domain. These developments are publicly available in WRF-Chem from version 3.5.1 onwards.

Gas-phase chemical mechanism compression strategies: Treatment of reactants

1996 ◽  
Vol 30 (6) ◽  
pp. 831-842 ◽  
Author(s):  
P.A. Makar ◽  
W.R. Stockwell ◽  
S.M. Li
Keyword(s):  
Gas Phase ◽  
Chemical Mechanism ◽  
Phase Chemical

Improvements of the RADM1 gas‐phase chemical mechanism

2000 ◽  
Vol 35 (10) ◽  
pp. 1931-1939 ◽  
Author(s):  
Jianzhong Ma ◽  
Weiliang Li ◽  
Xiuji Zhou
Keyword(s):  
Gas Phase ◽  
Chemical Mechanism ◽  
Phase Chemical

scholarly journals Formation of secondary aerosols: impact of the gas-phase chemical mechanism

2010 ◽  
Vol 10 (8) ◽  
pp. 20625-20672
Author(s):  
Y. Kim ◽  
K. Sartelet ◽  
C. Seigneur
Keyword(s):  
Gas Phase ◽  
Transport Model ◽  
Model Performance ◽  
Organic Aerosols ◽  
Chemical Kinetic ◽  
Chemical Mechanism ◽  
Chemical Components ◽  
The Impact ◽  
Phase Chemical ◽  
Inorganic And Organic

Abstract. The impact of two recent gas-phase chemical kinetic mechanisms (CB05 and RACM2) on the formation of secondary inorganic and organic aerosols is compared for simulations of PM2.5 over Europe between 15 July and 15 August 2001. The host chemistry transport model is Polair3D of the Polyphemus air-quality platform. Particulate matter is modeled with SIREAM, which is coupled to the thermodynamic model ISORROPIA and to the secondary organic aerosol module MAEC. Model performance is satisfactory with both mechanisms for speciated PM2.5. The monthly-mean difference of the concentration of PM2.5 is less than 1 μg/m3 (6%) over the entire domain. Secondary chemical components of PM2.5 include sulfate, nitrate, ammonium and organic aerosols, and the chemical composition of PM2.5 is not significantly different between the two mechanisms. Monthly-mean concentrations of inorganic aerosol are higher with RACM2 than with CB05 (+16% for sulfate, +11% for nitrate, and +12% for ammonium), whereas the concentrations of organic aerosols are slightly higher with CB05 than with RACM2 (+26% for anthropogenic SOA and +1% for biogenic SOA). Differences in the inorganic and organic aerosols result primarily from differences in oxidant concentrations (OH, O3 and NO3). Nitrate formation tends to be HNO3-limited over land and differences in the concentrations of nitrate are due to differences in concentration of HNO3. Differences in aerosols formed from aromatics SVOC are due to different aromatics oxidation between CB05 and RACM2. The aromatics oxidation in CB05 leads to more cresol formation, which then leads to more SOA. Differences in the aromatics aerosols would be significantly reduced with the recent CB05-TU mechanism for toluene oxidation. Differences in the biogenic aerosols are due to different oxidant concentrations (monoterpenes) and different particulate organic mass concentrations affecting the gas-particle partitioning of SOA (isoprene).

Global uncertainty analysis of a regional-scale gas-phase chemical mechanism

1996 ◽  
Vol 101 (D4) ◽  
pp. 9107-9119 ◽  
Author(s):  
Dongfen Gao ◽  
William R. Stockwell ◽  
Jana B. Milford
Keyword(s):  
Uncertainty Analysis ◽  
Gas Phase ◽  
Regional Scale ◽  
Chemical Mechanism ◽  
Global Uncertainty ◽  
Phase Chemical
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