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A tool model for predicting atmospheric chemical kinetics with sensitivity analysis
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作者 SHEN Ji (Research Center for Eco\|Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China.E\|mail:shenji@mail.rcees.ac.cn) 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2001年第1期79-86,共8页
A package(a tool model) for program of predicting atmospheric chemical kinetics with sensitivity analysis is presented. The new direct method of calculating the first order sensitivity coefficients using sparse matri... A package(a tool model) for program of predicting atmospheric chemical kinetics with sensitivity analysis is presented. The new direct method of calculating the first order sensitivity coefficients using sparse matrix technology to chemical kinetics is included in the tool model, it is only necessary to triangularize the matrix related to the Jacobian matrix of the model equation. The Gear type procedure is used to integrate a model equation and its coupled auxiliary sensitivity coefficient equations. The FORTRAN subroutines of the model equation, the sensitivity coefficient equations, and their Jacobian analytical expressions are generated automatically from a chemical mechanism. The kinetic representation for the model equation and its sensitivity coefficient equations, and their Jacobian matrix is presented. Various FORTRAN subroutines in packages, such as SLODE, modified MA28, Gear package, with which the program runs in conjunction are recommended. The photo\|oxidation of dimethyl disulfide is used for illustration. 展开更多
关键词 atmospheric chemical model chemical kinetics sensitivity analysis
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Comparison of some atmospheric chemical modeling schemes
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作者 Shen Ji,\ Zhao Qianxue Research Center for Eco Enviromental Sciences,Chinese Academy of Sciences,Beijing 100085,China 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 1997年第2期58-76,共19页
The comparison of five atmospheric chemical modeling schemes was presented from accuracy,efficiency and progamming in term of Carbon bond Mechanism IV of atmospheric chemical reactions. The major results were as fo... The comparison of five atmospheric chemical modeling schemes was presented from accuracy,efficiency and progamming in term of Carbon bond Mechanism IV of atmospheric chemical reactions. The major results were as follows. The classical Gear scheme can provide an accurate solution and it is easy for programming by a computer automatically. The sparse matrix Gear type scheme can also provide an accurate solution but much faster than classical Gear scheme. QSSA,EBI and hybrid schemes can run with much longer time step without sacrificing of accuracy, therefore, much efficiently. If analytical solution is obtained by EBI scheme the accuracy and efficiency are much better. 展开更多
关键词 atmospheric chemical modeling photochemical reaction mechanism stiff ordinary differential equations.
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A new implementation of FLEXPART with Enviro-HIRLAM meteorological input,and a case study during a heavy air pollution event
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作者 Benjamin Foreback Alexander Mahura +18 位作者 Petri Clusius Carlton Xavier Metin Baykara Putian Zhou Tuomo Nieminen Victoria Sinclair Veli-Matti Kerminen Tom V.Kokkonen Simo Hakala Diego Aliaga Risto Makkonen Alexander Baklanov Roman Nuterman Men Xia Chenjie Hua Yongchun Liu Markku Kulmala Pauli Paasonen Michael Boy 《Big Earth Data》 EI CSCD 2024年第2期397-434,共38页
We integrated Enviro-HIRLAM(Environment-High Resolution Limited Area Model)meteorological output into FLEXPART(FLEXible PARTicle dispersion model).A FLEXPART simulation requires meteorological input from a numerical w... We integrated Enviro-HIRLAM(Environment-High Resolution Limited Area Model)meteorological output into FLEXPART(FLEXible PARTicle dispersion model).A FLEXPART simulation requires meteorological input from a numerical weather prediction(NWP)model.The publicly available version of FLEXPART can utilize either ECMWF(European Centre for Medium-range Weather Forecasts)Integrated Forecast System(IFS)forecast or reanalysis NWP data,or NCEP(U.S.National Center for Environmental Prediction)Global Forecast System(GFS)forecast or reanalysis NWP data.The primary benefits of using Enviro-HIRLAM are that it runs at a higher resolution and accounts for aerosol effects in meteorological fields.We compared backward trajectories gener-ated with FLEXPART using Enviro-HIRLAM(both with and without aerosol effects)to trajectories generated using NCEP GFS and ECMWF IFS meteorological inputs,for a case study of a heavy haze event which occurred in Beijing,China in November 2018.We found that results from FLEXPART were considerably different when using different meteorological inputs.When aerosol effects were included in the NWP,there was a small but noticeable differ-ence in calculated trajectories.Moreover,when looking at potential emission sensitivity instead of simply expressing trajectories as lines,additional information,which may have been missed when looking only at trajectories as lines,can be inferred. 展开更多
关键词 atmospheric and chemical transport modelling trajectory and particle dispersion modelling severe air pollution episode FLEXPART Enviro-HIRLAM
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